N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

C20H28N4OS — CID 5200179

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2c(C)nn(C)c2C)CC2CC=CCC2)s1
InChIInChI=1S/C20H28N4OS/c1-13-18(15(3)23(5)22-13)12-24(11-17-9-7-6-8-10-17)20(25)19-14(2)21-16(4)26-19/h6-7,17H,8-12H2,1-5H3
InChIKeyYPIQNUKBBLYHHJ-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.11
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 5200179) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID5200179
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2c(C)nn(C)c2C)CC2CC=CCC2)s1
InChIInChI=1S/C20H28N4OS/c1-13-18(15(3)23(5)22-13)12-24(11-17-9-7-6-8-10-17)20(25)19-14(2)21-16(4)26-19/h6-7,17H,8-12H2,1-5H3
InChIKeyYPIQNUKBBLYHHJ-UHFFFAOYSA-N
XLogP4.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide 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 N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 5200179) is N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(Cc2c(C)nn(C)c2C)CC2CC=CCC2)s1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YPIQNUKBBLYHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-13-18(15(3)23(5)22-13)12-24(11-17-9-7-6-8-10-17)20(25)19-14(2)21-16(4)26-19/h6-7,17H,8-12H2,1-5H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5200179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).