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

C14H15N3O3S — CID 63241030

IUPAC2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCCc2nccs2)cc1
InChIInChI=1S/C14H15N3O3S/c18-13(19)9-10-1-3-11(4-2-10)17-14(20)16-6-5-12-15-7-8-21-12/h1-4,7-8H,5-6,9H2,(H,18,19)(H2,16,17,20)
InChIKeyHPVLDMYXUYHAHX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.13
Rot. Bonds6

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

2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid (PubChem CID 63241030) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid
PubChem CID63241030
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCCc2nccs2)cc1
InChIInChI=1S/C14H15N3O3S/c18-13(19)9-10-1-3-11(4-2-10)17-14(20)16-6-5-12-15-7-8-21-12/h1-4,7-8H,5-6,9H2,(H,18,19)(H2,16,17,20)
InChIKeyHPVLDMYXUYHAHX-UHFFFAOYSA-N
XLogP2.13
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470404
2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid
CID 61188411
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
2-[5-(1,3-thiazol-2-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340578
1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 167748185
2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108901676
2-[4-[2-(3-methylphenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108900747
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
4-chloro-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]benzoic acid
CID 63240493
2-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 64524531
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 49470389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid (CID 63241030) is 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NCCc2nccs2)cc1.
What is the InChIKey of 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid?
The InChIKey is HPVLDMYXUYHAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-13(19)9-10-1-3-11(4-2-10)17-14(20)16-6-5-12-15-7-8-21-12/h1-4,7-8H,5-6,9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid?
2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 63241030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).