4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide

C12H13N3OS — CID 83969989

IUPAC4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1nc(N)sc1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13N3OS/c1-7-10(17-12(14)15-7)6-8-2-4-9(5-3-8)11(13)16/h2-5H,6H2,1H3,(H2,13,16)(H2,14,15)
InChIKeyVFIOWNUQMSCMIK-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.72
Rot. Bonds3

About 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide

4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 83969989) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID83969989
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1nc(N)sc1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13N3OS/c1-7-10(17-12(14)15-7)6-8-2-4-9(5-3-8)11(13)16/h2-5H,6H2,1H3,(H2,13,16)(H2,14,15)
InChIKeyVFIOWNUQMSCMIK-UHFFFAOYSA-N
XLogP1.72
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid
CID 83969992
2-[5-[(4-carbamoylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970097
5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43431842
4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637228
5-(aminomethyl)-4-methyl-1,3-thiazol-2-amine
CID 24820452
propyl 4-[[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzoate
CID 83970145
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065378
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine
CID 115564800

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 83969989) is 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1nc(N)sc1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is VFIOWNUQMSCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-10(17-12(14)15-7)6-8-2-4-9(5-3-8)11(13)16/h2-5H,6H2,1H3,(H2,13,16)(H2,14,15).
What are the key properties of 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 247.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 83969989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).