(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

C18H19N5OS — CID 98062399

IUPAC(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
SMILESCc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=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/t12-,14-/m0/s1
InChIKeyLYSAUOUTKALJSL-JSGCOSHPSA-N
MW353.45 g/mol
LogP3.01
Rot. Bonds1

About (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

(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 (PubChem CID 98062399) 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)-[(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.

Molecular Properties

Compound Name(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
PubChem CID98062399
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(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
SMILESCc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=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/t12-,14-/m0/s1
InChIKeyLYSAUOUTKALJSL-JSGCOSHPSA-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)-[(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1sc(C)nc1C.
What is the InChIKey of (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?
The InChIKey is LYSAUOUTKALJSL-JSGCOSHPSA-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/t12-,14-/m0/s1.
What are the key properties of (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?
(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 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)-[(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 is sourced from PubChem (CID 98062399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).