2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride

C16H20ClN3O2S — CID 119757405

IUPAC2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NC(c2ccccc2)C2CCCO2)cs1
InChIInChI=1S/C16H19N3O2S.ClH/c17-9-14-18-12(10-22-14)16(20)19-15(13-7-4-8-21-13)11-5-2-1-3-6-11;/h1-3,5-6,10,13,15H,4,7-9,17H2,(H,19,20);1H
InChIKeyJWRPGBRKTDOIRO-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.67
Rot. Bonds5

About 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119757405) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119757405
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NC(c2ccccc2)C2CCCO2)cs1
InChIInChI=1S/C16H19N3O2S.ClH/c17-9-14-18-12(10-22-14)16(20)19-15(13-7-4-8-21-13)11-5-2-1-3-6-11;/h1-3,5-6,10,13,15H,4,7-9,17H2,(H,19,20);1H
InChIKeyJWRPGBRKTDOIRO-UHFFFAOYSA-N
XLogP2.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120627358
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
CID 119689395
2-(aminomethyl)-N-(2-ethyl-1-phenylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119724628
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 119308398
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
2-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119819583
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119757405) is 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)NC(c2ccccc2)C2CCCO2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is JWRPGBRKTDOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c17-9-14-18-12(10-22-14)16(20)19-15(13-7-4-8-21-13)11-5-2-1-3-6-11;/h1-3,5-6,10,13,15H,4,7-9,17H2,(H,19,20);1H.
What are the key properties of 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119757405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).