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

C24H29N7OS — CID 58180573

IUPACN,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
SMILESCCc1nc(Nc2nc3c(cc(C(=O)N(C4CC4)C4CC4)n3CC)c3c2ncn3C)sc1C
InChIInChI=1S/C24H29N7OS/c1-5-17-13(3)33-24(26-17)28-21-19-20(29(4)12-25-19)16-11-18(30(6-2)22(16)27-21)23(32)31(14-7-8-14)15-9-10-15/h11-12,14-15H,5-10H2,1-4H3,(H,26,27,28)
InChIKeyLNRVUHYHRIIHPZ-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.78
Rot. Bonds7

About 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

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 (PubChem CID 58180573) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID58180573
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC NameN,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
SMILESCCc1nc(Nc2nc3c(cc(C(=O)N(C4CC4)C4CC4)n3CC)c3c2ncn3C)sc1C
InChIInChI=1S/C24H29N7OS/c1-5-17-13(3)33-24(26-17)28-21-19-20(29(4)12-25-19)16-11-18(30(6-2)22(16)27-21)23(32)31(14-7-8-14)15-9-10-15/h11-12,14-15H,5-10H2,1-4H3,(H,26,27,28)
InChIKeyLNRVUHYHRIIHPZ-UHFFFAOYSA-N
XLogP4.78
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc(Nc2nc3c(cc(C(=O)N(C4CC4)C4CC4)n3CC)c3c2ncn3C)sc1C.
What is the InChIKey of 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?
The InChIKey is LNRVUHYHRIIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-5-17-13(3)33-24(26-17)28-21-19-20(29(4)12-25-19)16-11-18(30(6-2)22(16)27-21)23(32)31(14-7-8-14)15-9-10-15/h11-12,14-15H,5-10H2,1-4H3,(H,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 463.61 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58180573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).