1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea

C19H16N4O3S2 — CID 11603983

IUPAC1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
SMILESCc1nc(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2cc3ccccc3[nH]2)s1
InChIInChI=1S/C19H16N4O3S2/c1-12-20-17(13-7-3-2-4-8-13)18(27-12)22-19(24)23-28(25,26)16-11-14-9-5-6-10-15(14)21-16/h2-11,21H,1H3,(H2,22,23,24)
InChIKeyPMSAUPCYNJUJPX-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.11
Rot. Bonds4

About 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea

1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea (PubChem CID 11603983) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
PubChem CID11603983
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
SMILESCc1nc(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2cc3ccccc3[nH]2)s1
InChIInChI=1S/C19H16N4O3S2/c1-12-20-17(13-7-3-2-4-8-13)18(27-12)22-19(24)23-28(25,26)16-11-14-9-5-6-10-15(14)21-16/h2-11,21H,1H3,(H2,22,23,24)
InChIKeyPMSAUPCYNJUJPX-UHFFFAOYSA-N
XLogP4.11
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-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

2-(1H-indol-2-yl)-N-(3-methanesulfonamidophenyl)-1,3-thiazole-4-carboxamide
CID 136079524
1-(2-((2-methyl-1H-indol-3-yl)sulfonyl)ethyl)-3-(thiophen-2-yl)urea
CID 16918010
2-(1H-indol-2-yl)-N-(4-sulfamoylphenethyl)thiazole-4-carboxamide
CID 136081209
Indolyl sulfone
CID 129873060
N-[3-[5-[(2E)-2-amino-5,6-dihydro-4H-azonin-9-yl]-2-(5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 173868410
N-{[(2-methyl-4-phenyl-1,3-thiazol-5-yl)amino]carbonyl}-1-benzothiophene-2-sulfonamide
CID 11553729
1-(2-Methyl-4-phenyl-1,3-thiazol-5-yl)-3-[5-(2-phenylethyl)thiophen-2-yl]sulfonylurea
CID 11554828
1-[4-(Ethylamino)phenyl]sulfonyl-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea
CID 11611408
1-(2-Methyl-4-phenyl-1,3-thiazol-5-yl)-3-(5-phenylsulfanylthiophen-2-yl)sulfonylurea
CID 11634515
1-(2-Methyl-4-phenyl-1,3-thiazol-5-yl)-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thiophen-2-yl]sulfonylurea
CID 11663459
1-(2-Methyl-4-phenyl-1,3-thiazol-5-yl)-3-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]thiophen-2-yl]sulfonylurea
CID 11684875
N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 57901627

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea (CID 11603983) is 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea is Cc1nc(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2cc3ccccc3[nH]2)s1.
What is the InChIKey of 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
The InChIKey is PMSAUPCYNJUJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-12-20-17(13-7-3-2-4-8-13)18(27-12)22-19(24)23-28(25,26)16-11-14-9-5-6-10-15(14)21-16/h2-11,21H,1H3,(H2,22,23,24).
What are the key properties of 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea?
1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea has a molecular weight of 412.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-ylsulfonyl)-3-(2-methyl-4-phenyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 11603983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).