2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid

C10H14N2O4S2 — CID 103414083

IUPAC2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid
SMILESCc1ncc(S(=O)(=O)N(CC(=O)O)CC2CC2)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-11-4-10(17-7)18(15,16)12(6-9(13)14)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyOZQMJTCUKQESTQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.94
Rot. Bonds6

About 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid

2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid (PubChem CID 103414083) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid
PubChem CID103414083
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid
SMILESCc1ncc(S(=O)(=O)N(CC(=O)O)CC2CC2)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-11-4-10(17-7)18(15,16)12(6-9(13)14)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyOZQMJTCUKQESTQ-UHFFFAOYSA-N
XLogP0.94
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid (CID 103414083) is 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid is Cc1ncc(S(=O)(=O)N(CC(=O)O)CC2CC2)s1.
What is the InChIKey of 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid?
The InChIKey is OZQMJTCUKQESTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7-11-4-10(17-7)18(15,16)12(6-9(13)14)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid?
2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid has a molecular weight of 290.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 103414083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).