N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide

C12H12N4O2S — CID 47148362

IUPACN-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H12N4O2S/c1-8(17)14-9-2-4-10(5-3-9)15-11(18)16-12-13-6-7-19-12/h2-7H,1H3,(H,14,17)(H2,13,15,16,18)
InChIKeyNEJNRMYWVOIRER-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.75
Rot. Bonds3

About N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide

N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide (PubChem CID 47148362) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
PubChem CID47148362
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H12N4O2S/c1-8(17)14-9-2-4-10(5-3-9)15-11(18)16-12-13-6-7-19-12/h2-7H,1H3,(H,14,17)(H2,13,15,16,18)
InChIKeyNEJNRMYWVOIRER-UHFFFAOYSA-N
XLogP2.75
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid
CID 61188411
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 99831962
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
CID 63655785
1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea
CID 4904044
1-quinolin-3-yl-3-(1,3-thiazol-2-yl)urea
CID 47149919
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide (CID 47148362) is N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide?
The InChIKey is NEJNRMYWVOIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-8(17)14-9-2-4-10(5-3-9)15-11(18)16-12-13-6-7-19-12/h2-7H,1H3,(H,14,17)(H2,13,15,16,18).
What are the key properties of N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide?
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide has a molecular weight of 276.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 47148362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).