2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride

C16H28ClN3OS — CID 119808652

IUPAC2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)C1CCC(CNC(=O)c2csc(CN)n2)CC1.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-16(2,3)12-6-4-11(5-7-12)9-18-15(20)13-10-21-14(8-17)19-13;/h10-12H,4-9,17H2,1-3H3,(H,18,20);1H
InChIKeyRETCVVUTUYPWCM-UHFFFAOYSA-N
MW345.94 g/mol
LogP3.61
Rot. Bonds4

About 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119808652) has the molecular formula C16H28ClN3OS and a molecular weight of 345.94 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119808652
Molecular FormulaC16H28ClN3OS
Molecular Weight345.94 g/mol
Exact Mass345.16
IUPAC Name2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)C1CCC(CNC(=O)c2csc(CN)n2)CC1.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-16(2,3)12-6-4-11(5-7-12)9-18-15(20)13-10-21-14(8-17)19-13;/h10-12H,4-9,17H2,1-3H3,(H,18,20);1H
InChIKeyRETCVVUTUYPWCM-UHFFFAOYSA-N
XLogP3.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375755
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119766803
2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119782557
2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119897334
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-tert-butylazepan-1-yl)methanone;hydrochloride
CID 119787768

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119808652) is 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)(C)C1CCC(CNC(=O)c2csc(CN)n2)CC1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is RETCVVUTUYPWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.ClH/c1-16(2,3)12-6-4-11(5-7-12)9-18-15(20)13-10-21-14(8-17)19-13;/h10-12H,4-9,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 345.94 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119808652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).