4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

C13H14N4O2S — CID 82547522

IUPAC4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESNCc1nc(CC(=O)Nc2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C13H14N4O2S/c14-6-12-17-10(7-20-12)5-11(18)16-9-3-1-8(2-4-9)13(15)19/h1-4,7H,5-6,14H2,(H2,15,19)(H,16,18)
InChIKeyJRCWTYJRHLJOTP-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.88
Rot. Bonds5

About 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 82547522) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID82547522
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESNCc1nc(CC(=O)Nc2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C13H14N4O2S/c14-6-12-17-10(7-20-12)5-11(18)16-9-3-1-8(2-4-9)13(15)19/h1-4,7H,5-6,14H2,(H2,15,19)(H,16,18)
InChIKeyJRCWTYJRHLJOTP-UHFFFAOYSA-N
XLogP0.88
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
4-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]benzamide
CID 110484497
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768
4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 26721108
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
CID 82547528
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 120566989
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 82547737

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 82547522) is 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide is NCc1nc(CC(=O)Nc2ccc(C(N)=O)cc2)cs1.
What is the InChIKey of 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is JRCWTYJRHLJOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-6-12-17-10(7-20-12)5-11(18)16-9-3-1-8(2-4-9)13(15)19/h1-4,7H,5-6,14H2,(H2,15,19)(H,16,18).
What are the key properties of 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 290.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 82547522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).