1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

C17H17N5O3S2 — CID 87408525

IUPAC1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H17N5O3S2/c1-27(24,25)22-14-4-2-3-12(9-14)10-19-16(23)21-17-20-15(11-26-17)13-5-7-18-8-6-13/h2-9,11,22H,10H2,1H3,(H2,19,20,21,23)
InChIKeyRGEMRRIRNSUXOQ-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.90
Rot. Bonds6

About 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87408525) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87408525
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC Name1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H17N5O3S2/c1-27(24,25)22-14-4-2-3-12(9-14)10-19-16(23)21-17-20-15(11-26-17)13-5-7-18-8-6-13/h2-9,11,22H,10H2,1H3,(H2,19,20,21,23)
InChIKeyRGEMRRIRNSUXOQ-UHFFFAOYSA-N
XLogP2.90
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

Stf-62247
CID 704473
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
3-[2-(2-Ethylpyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928512
N-[5-(5-benzenesulphonamido-6-chloropyridin-3-yl)-4-methylthiazol-2-yl]acetamide
CID 11541283
2,6-Difluoro-N-{2-fluoro-3-[2-(1-methylethyl)-5-(2-{[2-(methylsulfonyl)ethyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide
CID 57989641
2,6-Difluoro-N-{3-[2-(1-methylethyl)-5-(2-{[2-(methylsulfonyl)ethyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide
CID 57989894
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87408525) is 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is CS(=O)(=O)Nc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is RGEMRRIRNSUXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c1-27(24,25)22-14-4-2-3-12(9-14)10-19-16(23)21-17-20-15(11-26-17)13-5-7-18-8-6-13/h2-9,11,22H,10H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 403.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87408525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).