2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide

C15H19N3OS — CID 82546128

IUPAC2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCC(C)c1csc(CNC(=O)c2ccccc2CN)n1
InChIInChI=1S/C15H19N3OS/c1-10(2)13-9-20-14(18-13)8-17-15(19)12-6-4-3-5-11(12)7-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyIGKOJVSMQGZEHH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.66
Rot. Bonds5

About 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide

2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 82546128) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID82546128
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCC(C)c1csc(CNC(=O)c2ccccc2CN)n1
InChIInChI=1S/C15H19N3OS/c1-10(2)13-9-20-14(18-13)8-17-15(19)12-6-4-3-5-11(12)7-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyIGKOJVSMQGZEHH-UHFFFAOYSA-N
XLogP2.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119897370
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 110440180
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110484643
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897401
3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110439900
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392
2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 110451539
3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 139007746
2-[[(2-propan-2-ylsulfanylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99605644
2-(2-methoxyphenoxy)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110443308
3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443343

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide (CID 82546128) is 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide is CC(C)c1csc(CNC(=O)c2ccccc2CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is IGKOJVSMQGZEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)13-9-20-14(18-13)8-17-15(19)12-6-4-3-5-11(12)7-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 82546128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).