1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea

C21H20N4O2S — CID 16897319

IUPAC1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(C)c(C(=O)N3CCc4ccccc43)s2)cc1
InChIInChI=1S/C21H20N4O2S/c1-13-7-9-16(10-8-13)23-20(27)24-21-22-14(2)18(28-21)19(26)25-12-11-15-5-3-4-6-17(15)25/h3-10H,11-12H2,1-2H3,(H2,22,23,24,27)
InChIKeyLZCJNMZHNTZBRO-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.61
Rot. Bonds3

About 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea

1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea (PubChem CID 16897319) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
PubChem CID16897319
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(C)c(C(=O)N3CCc4ccccc43)s2)cc1
InChIInChI=1S/C21H20N4O2S/c1-13-7-9-16(10-8-13)23-20(27)24-21-22-14(2)18(28-21)19(26)25-12-11-15-5-3-4-6-17(15)25/h3-10H,11-12H2,1-2H3,(H2,22,23,24,27)
InChIKeyLZCJNMZHNTZBRO-UHFFFAOYSA-N
XLogP4.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)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

1-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897012
6-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109100169
1-(4-chlorophenyl)-3-[5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897564
4-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109091330
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897556
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109100170
1-[5-(4-benzhydrylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897004
3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387133
1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897133
1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 108980844

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea (CID 16897319) is 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)N3CCc4ccccc43)s2)cc1.
What is the InChIKey of 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The InChIKey is LZCJNMZHNTZBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-13-7-9-16(10-8-13)23-20(27)24-21-22-14(2)18(28-21)19(26)25-12-11-15-5-3-4-6-17(15)25/h3-10H,11-12H2,1-2H3,(H2,22,23,24,27).
What are the key properties of 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea has a molecular weight of 392.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydroindole-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 16897319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).