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

C19H25N3OS — CID 119733910

IUPAC2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C2(CNC(=O)c3csc(CN)n3)CCCCC2)c1
InChIInChI=1S/C19H25N3OS/c1-14-6-5-7-15(10-14)19(8-3-2-4-9-19)13-21-18(23)16-12-24-17(11-20)22-16/h5-7,10,12H,2-4,8-9,11,13,20H2,1H3,(H,21,23)
InChIKeyHIRRZEXSWCDINI-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.54
Rot. Bonds5

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

2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119733910) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID119733910
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C2(CNC(=O)c3csc(CN)n3)CCCCC2)c1
InChIInChI=1S/C19H25N3OS/c1-14-6-5-7-15(10-14)19(8-3-2-4-9-19)13-21-18(23)16-12-24-17(11-20)22-16/h5-7,10,12H,2-4,8-9,11,13,20H2,1H3,(H,21,23)
InChIKeyHIRRZEXSWCDINI-UHFFFAOYSA-N
XLogP3.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119752294
2-(aminomethyl)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119749630
2-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749955
2-(aminomethyl)-N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide
CID 119744788
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119770275
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 119821394
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-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide (CID 119733910) is 2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide is Cc1cccc(C2(CNC(=O)c3csc(CN)n3)CCCCC2)c1.
What is the InChIKey of 2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HIRRZEXSWCDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-6-5-7-15(10-14)19(8-3-2-4-9-19)13-21-18(23)16-12-24-17(11-20)22-16/h5-7,10,12H,2-4,8-9,11,13,20H2,1H3,(H,21,23).
What are the key properties of 2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 3.54, 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-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119733910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).