(2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone

C18H19N5OS — CID 110215070

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone
SMILESCc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)c1sc(C)nc1C
InChIInChI=1S/C18H19N5OS/c1-9-6-16-19-8-13-14-5-4-12(7-15(13)23(16)21-9)22(14)18(24)17-10(2)20-11(3)25-17/h6,8,12,14H,4-5,7H2,1-3H3
InChIKeyLYSAUOUTKALJSL-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.01
Rot. Bonds1

About (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone (PubChem CID 110215070) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone
PubChem CID110215070
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone
SMILESCc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)c1sc(C)nc1C
InChIInChI=1S/C18H19N5OS/c1-9-6-16-19-8-13-14-5-4-12(7-15(13)23(16)21-9)22(14)18(24)17-10(2)20-11(3)25-17/h6,8,12,14H,4-5,7H2,1-3H3
InChIKeyLYSAUOUTKALJSL-UHFFFAOYSA-N
XLogP3.01
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone with MolForge

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]methanone
CID 98062399
[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-pyridin-4-ylmethanone
CID 98062373
(2-methyl-3-pyridinyl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone
CID 110215069
(4-chloro-1-methylpyrazol-3-yl)-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]methanone
CID 98062879
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]propan-1-one
CID 98136550
1-[(1R,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-pyridin-3-ylethanone
CID 98062382
(2-ethoxy-3-pyridinyl)-[(1S,12R)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]methanone
CID 51595613
4-methoxy-N-[2-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-2-oxoethyl]benzenesulfonamide
CID 98131841
1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 98136552
3-(5-methylpyrazol-1-yl)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]propan-1-one
CID 98062404
1-[(2R)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 98062437
4-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 46960822

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone (CID 110215070) is (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone is Cc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)c1sc(C)nc1C.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone?
The InChIKey is LYSAUOUTKALJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-9-6-16-19-8-13-14-5-4-12(7-15(13)23(16)21-9)22(14)18(24)17-10(2)20-11(3)25-17/h6,8,12,14H,4-5,7H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone has a molecular weight of 353.45 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)methanone is sourced from PubChem (CID 110215070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).