2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid

C10H11N3O2S2 — CID 80568461

IUPAC2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1ncsc1CN(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H11N3O2S2/c1-6-8(17-5-11-6)3-13(2)10-12-7(4-16-10)9(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyFMXUYUCYESCTMZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.24
Rot. Bonds4

About 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid

2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568461) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568461
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1ncsc1CN(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H11N3O2S2/c1-6-8(17-5-11-6)3-13(2)10-12-7(4-16-10)9(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyFMXUYUCYESCTMZ-UHFFFAOYSA-N
XLogP2.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic 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-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid (CID 80568461) is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid is Cc1ncsc1CN(C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FMXUYUCYESCTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-6-8(17-5-11-6)3-13(2)10-12-7(4-16-10)9(14)15/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 269.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).