2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C16H20N4O2S — CID 10131664

IUPAC2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)CN)cc2)s1
InChIInChI=1S/C16H20N4O2S/c1-10(2)13-9-18-16(23-13)20-14(21)7-11-3-5-12(6-4-11)19-15(22)8-17/h3-6,9-10H,7-8,17H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyNOVIUSXEGHRTMR-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 10131664) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID10131664
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)CN)cc2)s1
InChIInChI=1S/C16H20N4O2S/c1-10(2)13-9-18-16(23-13)20-14(21)7-11-3-5-12(6-4-11)19-15(22)8-17/h3-6,9-10H,7-8,17H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyNOVIUSXEGHRTMR-UHFFFAOYSA-N
XLogP2.34
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 11383851
5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide
CID 11269455
N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 11270186
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
CID 172559282
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 10155339
1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559570
1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559540
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 22170729
4-[(2-phenylsulfanylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170823
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170794
5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 87954674

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 10131664) is 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)CN)cc2)s1.
What is the InChIKey of 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NOVIUSXEGHRTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(2)13-9-18-16(23-13)20-14(21)7-11-3-5-12(6-4-11)19-15(22)8-17/h3-6,9-10H,7-8,17H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 10131664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).