2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide

C24H28N8O2S — CID 58180518

IUPAC2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C(=O)NC)c(C)s3)nc21
InChIInChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-19-18(26-11-30(19)4)20(28-21(15)31)29-24-27-17(12(2)35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29)
InChIKeyLOSVDEFLQITEHU-UHFFFAOYSA-N
MW492.61 g/mol
LogP3.58
Rot. Bonds7

About 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide

2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 58180518) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID58180518
Molecular FormulaC24H28N8O2S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC Name2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C(=O)NC)c(C)s3)nc21
InChIInChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-19-18(26-11-30(19)4)20(28-21(15)31)29-24-27-17(12(2)35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29)
InChIKeyLOSVDEFLQITEHU-UHFFFAOYSA-N
XLogP3.58
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

Bms-911543
CID 50922691
N,N-Dicyclopropyl-4-[(4,5-Dimethyl-1,3-Thiazol-2-Yl)amino]-6-Ethyl-1-Methyl-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine-7-Carboxamide
CID 58180596
2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 58180591
N,N-dicyclopropyl-7-[[5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4-methyl-1,3-thiazol-2-yl]amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 89765129
N,N-Dicyclopropyl-6-Ethyl-4-[(3-Methoxypropyl)amino]-1-Methyl-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine-7-Carboxamide
CID 91827514
N,N-dicyclopropyl-7-[(1,5-dimethyl-1,2,4-triazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 50991562
N,N-dicyclopropyl-6-ethyl-1-methyl-4-(5-methylthiazol-2-ylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
CID 58180525
N,N-dicyclopropyl-10-ethyl-7-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 58180573
N,N-dicyclopropyl-6-ethyl-4-(1-ethyl-5-methyl-1H-pyrazol-3-ylamino)-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
CID 58180623
N,N-dicyclopropyl-6-ethyl-1-methyl-4-(thiazol-2-ylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
CID 58180628
N,N-dicyclopropyl-6-ethyl-1-methyl-4-(4-methylthiazol-2-ylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
CID 58180630
N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-5-methylsulfonyl-1,3-thiazol-2-yl)amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 58180639

Frequently Asked Questions

What is the IUPAC name of 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide (CID 58180518) is 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide is CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C(=O)NC)c(C)s3)nc21.
What is the InChIKey of 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is LOSVDEFLQITEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-5-31-16(23(34)32(13-6-7-13)14-8-9-14)10-15-19-18(26-11-30(19)4)20(28-21(15)31)29-24-27-17(12(2)35-24)22(33)25-3/h10-11,13-14H,5-9H2,1-4H3,(H,25,33)(H,27,28,29).
What are the key properties of 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide?
2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]amino]-N,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58180518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).