N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide

C16H17N5O3S3 — CID 2226096

IUPACN-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C16H17N5O3S3/c1-3-13(22)21-16-18-9(2)14(26-16)12-8-25-15(20-12)19-10-4-6-11(7-5-10)27(17,23)24/h4-8H,3H2,1-2H3,(H,19,20)(H2,17,23,24)(H,18,21,22)
InChIKeyQOBKAMSBNGEHNI-UHFFFAOYSA-N
MW423.55 g/mol
LogP3.31
Rot. Bonds6

About N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide

N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide (PubChem CID 2226096) has the molecular formula C16H17N5O3S3 and a molecular weight of 423.55 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
PubChem CID2226096
Molecular FormulaC16H17N5O3S3
Molecular Weight423.55 g/mol
Exact Mass423.05
IUPAC NameN-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1
InChIInChI=1S/C16H17N5O3S3/c1-3-13(22)21-16-18-9(2)14(26-16)12-8-25-15(20-12)19-10-4-6-11(7-5-10)27(17,23)24/h4-8H,3H2,1-2H3,(H,19,20)(H2,17,23,24)(H,18,21,22)
InChIKeyQOBKAMSBNGEHNI-UHFFFAOYSA-N
XLogP3.31
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide 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 N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide (CID 2226096) is N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is QOBKAMSBNGEHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S3/c1-3-13(22)21-16-18-9(2)14(26-16)12-8-25-15(20-12)19-10-4-6-11(7-5-10)27(17,23)24/h4-8H,3H2,1-2H3,(H,19,20)(H2,17,23,24)(H,18,21,22).
What are the key properties of N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 423.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2226096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).