2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide

C12H17N3OS — CID 66375755

IUPAC2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCC2CC=CCC2)cs1
InChIInChI=1S/C12H17N3OS/c13-6-11-15-10(8-17-11)12(16)14-7-9-4-2-1-3-5-9/h1-2,8-9H,3-7,13H2,(H,14,16)
InChIKeyZFJJXPSUANHTMA-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.69
Rot. Bonds4

About 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66375755) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID66375755
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCC2CC=CCC2)cs1
InChIInChI=1S/C12H17N3OS/c13-6-11-15-10(8-17-11)12(16)14-7-9-4-2-1-3-5-9/h1-2,8-9H,3-7,13H2,(H,14,16)
InChIKeyZFJJXPSUANHTMA-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119897334
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119766803
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119782557

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide (CID 66375755) is 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NCC2CC=CCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZFJJXPSUANHTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-6-11-15-10(8-17-11)12(16)14-7-9-4-2-1-3-5-9/h1-2,8-9H,3-7,13H2,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).