4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C14H22N4OS — CID 116664985

IUPAC4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCC2CC=CCC2)s1
InChIInChI=1S/C14H22N4OS/c1-9(2)17-14-18-12(15)11(20-14)13(19)16-8-10-6-4-3-5-7-10/h3-4,9-10H,5-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLYAHHLZEHWSCGW-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.63
Rot. Bonds5

About 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664985) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664985
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCC2CC=CCC2)s1
InChIInChI=1S/C14H22N4OS/c1-9(2)17-14-18-12(15)11(20-14)13(19)16-8-10-6-4-3-5-7-10/h3-4,9-10H,5-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyLYAHHLZEHWSCGW-UHFFFAOYSA-N
XLogP2.63
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-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

Related Compounds

4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116664984
4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666908
4-amino-N-(cyclopentylmethyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669781
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665759
4-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663998
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666471
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106242061

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116664985) is 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NCC2CC=CCC2)s1.
What is the InChIKey of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is LYAHHLZEHWSCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(2)17-14-18-12(15)11(20-14)13(19)16-8-10-6-4-3-5-7-10/h3-4,9-10H,5-8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).