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

C16H20ClN3OS — CID 119770275

IUPAC2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)c2csc(CN)n2)CC1.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-4-2-3-5-12(11)16(6-7-16)10-18-15(20)13-9-21-14(8-17)19-13;/h2-5,9H,6-8,10,17H2,1H3,(H,18,20);1H
InChIKeyNETZWFRSILRCEP-UHFFFAOYSA-N
MW337.88 g/mol
LogP2.79
Rot. Bonds5

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

2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119770275) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119770275
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)c2csc(CN)n2)CC1.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-4-2-3-5-12(11)16(6-7-16)10-18-15(20)13-9-21-14(8-17)19-13;/h2-5,9H,6-8,10,17H2,1H3,(H,18,20);1H
InChIKeyNETZWFRSILRCEP-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-(aminomethyl)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119777761
2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635450
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119733910
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749955
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884553
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
2-(aminomethyl)-N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide
CID 119744788
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119770275) is 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccccc1C1(CNC(=O)c2csc(CN)n2)CC1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is NETZWFRSILRCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.ClH/c1-11-4-2-3-5-12(11)16(6-7-16)10-18-15(20)13-9-21-14(8-17)19-13;/h2-5,9H,6-8,10,17H2,1H3,(H,18,20);1H.
What are the key properties of 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 337.88 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119770275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).