2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid

C14H15N3O3S — CID 61466028

IUPAC2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid
SMILESCc1nc(NC(=O)N(CC(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C14H15N3O3S/c1-9-10(2)21-13(15-9)16-14(20)17(8-12(18)19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,20)
InChIKeyKPIGWIRLAROXJD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.88
Rot. Bonds4

About 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid

2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid (PubChem CID 61466028) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid
PubChem CID61466028
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid
SMILESCc1nc(NC(=O)N(CC(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C14H15N3O3S/c1-9-10(2)21-13(15-9)16-14(20)17(8-12(18)19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,20)
InChIKeyKPIGWIRLAROXJD-UHFFFAOYSA-N
XLogP2.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid (CID 61466028) is 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid is Cc1nc(NC(=O)N(CC(=O)O)c2ccccc2)sc1C.
What is the InChIKey of 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid?
The InChIKey is KPIGWIRLAROXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-10(2)21-13(15-9)16-14(20)17(8-12(18)19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,20).
What are the key properties of 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid?
2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 61466028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).