1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

C24H29ClN4OS — CID 22437357

IUPAC1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1sc(N(C)C)nc1-c1ccccc1Cl
InChIInChI=1S/C24H29ClN4OS/c1-14(2)16-11-9-12-17(15(3)4)20(16)26-23(30)28-22-21(27-24(31-22)29(5)6)18-10-7-8-13-19(18)25/h7-15H,1-6H3,(H2,26,28,30)
InChIKeyFZVIONFGQYVFEI-UHFFFAOYSA-N
MW457.04 g/mol
LogP7.42
Rot. Bonds6

About 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea

1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 22437357) has the molecular formula C24H29ClN4OS and a molecular weight of 457.04 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID22437357
Molecular FormulaC24H29ClN4OS
Molecular Weight457.04 g/mol
Exact Mass456.18
IUPAC Name1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1sc(N(C)C)nc1-c1ccccc1Cl
InChIInChI=1S/C24H29ClN4OS/c1-14(2)16-11-9-12-17(15(3)4)20(16)26-23(30)28-22-21(27-24(31-22)29(5)6)18-10-7-8-13-19(18)25/h7-15H,1-6H3,(H2,26,28,30)
InChIKeyFZVIONFGQYVFEI-UHFFFAOYSA-N
XLogP7.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.04
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea with MolForge

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Related Compounds

1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-(2,6-difluorophenyl)urea
CID 139750364
1-[2-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 18981995
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[3-(2-chlorophenyl)-5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 18688876
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4195925
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113201411
1-[5-(2-chlorophenyl)-2-phenyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 67703234
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-[2,6-di(propan-2-yl)phenyl]-3-[4-(2-methylphenyl)-2-phenyl-1,3-oxazol-5-yl]urea
CID 67703235
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
2-[(2,6-dichlorophenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylic acid
CID 57423495
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea (CID 22437357) is 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)Nc1sc(N(C)C)nc1-c1ccccc1Cl.
What is the InChIKey of 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is FZVIONFGQYVFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4OS/c1-14(2)16-11-9-12-17(15(3)4)20(16)26-23(30)28-22-21(27-24(31-22)29(5)6)18-10-7-8-13-19(18)25/h7-15H,1-6H3,(H2,26,28,30).
What are the key properties of 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea?
1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 457.04 g/mol, XLogP of 7.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 22437357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).