2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid

C12H11N3O3S — CID 61188411

IUPAC2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H11N3O3S/c16-10(17)7-8-1-3-9(4-2-8)14-11(18)15-12-13-5-6-19-12/h1-6H,7H2,(H,16,17)(H2,13,14,15,18)
InChIKeyYQHITQSRFZIFPE-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid

2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid (PubChem CID 61188411) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid
PubChem CID61188411
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H11N3O3S/c16-10(17)7-8-1-3-9(4-2-8)14-11(18)15-12-13-5-6-19-12/h1-6H,7H2,(H,16,17)(H2,13,14,15,18)
InChIKeyYQHITQSRFZIFPE-UHFFFAOYSA-N
XLogP2.41
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid
CID 63241030
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 99831962
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091
1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid (CID 61188411) is 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid?
The InChIKey is YQHITQSRFZIFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-10(17)7-8-1-3-9(4-2-8)14-11(18)15-12-13-5-6-19-12/h1-6H,7H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid?
2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid has a molecular weight of 277.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 61188411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).