1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea

C19H22N6OS2 — CID 87230389

IUPAC1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ncc(Sc3ncc[nH]3)s2)c(N2CCCCC2)c1
InChIInChI=1S/C19H22N6OS2/c1-13-5-6-14(15(11-13)25-9-3-2-4-10-25)23-17(26)24-19-22-12-16(28-19)27-18-20-7-8-21-18/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)(H2,22,23,24,26)
InChIKeySRFLSBQVSHBRPO-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.96
Rot. Bonds5

About 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea

1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea (PubChem CID 87230389) has the molecular formula C19H22N6OS2 and a molecular weight of 414.56 g/mol. Its IUPAC name is 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea
PubChem CID87230389
Molecular FormulaC19H22N6OS2
Molecular Weight414.56 g/mol
Exact Mass414.13
IUPAC Name1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ncc(Sc3ncc[nH]3)s2)c(N2CCCCC2)c1
InChIInChI=1S/C19H22N6OS2/c1-13-5-6-14(15(11-13)25-9-3-2-4-10-25)23-17(26)24-19-22-12-16(28-19)27-18-20-7-8-21-18/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)(H2,22,23,24,26)
InChIKeySRFLSBQVSHBRPO-UHFFFAOYSA-N
XLogP4.96
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)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

3-[[2-[(4-methyl-2-piperidin-1-ylphenyl)carbamoylamino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid
CID 87230619
1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732966
1-[5-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea
CID 87231048
4-[[2-[(4-methyl-2-piperidin-1-ylphenyl)carbamoylamino]-1,3-thiazol-5-yl]methylsulfonyl]benzoic acid
CID 87231472
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-2-yl]urea
CID 59732687
2-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-5-yl]sulfanyl]pyridine-3-carboxylic acid
CID 59732810
1-[5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea;2-[[2-[(4-methyl-2-piperidin-1-ylphenyl)carbamoylamino]-1,3-thiazol-5-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 87417414
1-[5-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1,3-thiazol-2-yl]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 87230546
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-(5-ethylsulfanyl-1,3-thiazol-2-yl)urea
CID 91003474
N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]oxamide
CID 87230514
N-[5-(4-methylphenyl)sulfanyl-1,3-thiazol-2-yl]acetamide
CID 134938465
N'-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-N-[2-(2-methylpropoxy)phenyl]propanediamide
CID 87231084

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea (CID 87230389) is 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea is Cc1ccc(NC(=O)Nc2ncc(Sc3ncc[nH]3)s2)c(N2CCCCC2)c1.
What is the InChIKey of 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea?
The InChIKey is SRFLSBQVSHBRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS2/c1-13-5-6-14(15(11-13)25-9-3-2-4-10-25)23-17(26)24-19-22-12-16(28-19)27-18-20-7-8-21-18/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)(H2,22,23,24,26).
What are the key properties of 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea?
1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea has a molecular weight of 414.56 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 87230389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).