2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C15H25ClN4O2S — CID 119766803

IUPAC2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCCNC(=O)CC2CCCCC2)cs1
InChIInChI=1S/C15H24N4O2S.ClH/c16-9-14-19-12(10-22-14)15(21)18-7-6-17-13(20)8-11-4-2-1-3-5-11;/h10-11H,1-9,16H2,(H,17,20)(H,18,21);1H
InChIKeyPGABMJZMIJAJEA-UHFFFAOYSA-N
MW360.91 g/mol
LogP1.84
Rot. Bonds7

About 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119766803) has the molecular formula C15H25ClN4O2S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119766803
Molecular FormulaC15H25ClN4O2S
Molecular Weight360.91 g/mol
Exact Mass360.14
IUPAC Name2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCCNC(=O)CC2CCCCC2)cs1
InChIInChI=1S/C15H24N4O2S.ClH/c16-9-14-19-12(10-22-14)15(21)18-7-6-17-13(20)8-11-4-2-1-3-5-11;/h10-11H,1-9,16H2,(H,17,20)(H,18,21);1H
InChIKeyPGABMJZMIJAJEA-UHFFFAOYSA-N
XLogP1.84
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
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CID 119782557
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
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CID 119693263
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
2-(2-aminoethyl)-N-(2-cyclohexyloxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625194
4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119313817
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119766803) is 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)NCCNC(=O)CC2CCCCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is PGABMJZMIJAJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.ClH/c16-9-14-19-12(10-22-14)15(21)18-7-6-17-13(20)8-11-4-2-1-3-5-11;/h10-11H,1-9,16H2,(H,17,20)(H,18,21);1H.
What are the key properties of 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119766803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).