1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea

C21H23N3OS — CID 90014523

IUPAC1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCc1ccc(N(Cc2cccc(-c3nccs3)c2)C(=O)NC(C)C)cc1
InChIInChI=1S/C21H23N3OS/c1-15(2)23-21(25)24(19-9-7-16(3)8-10-19)14-17-5-4-6-18(13-17)20-22-11-12-26-20/h4-13,15H,14H2,1-3H3,(H,23,25)
InChIKeyRBAABEFWEFGNPA-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.24
Rot. Bonds5

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

1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea (PubChem CID 90014523) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
PubChem CID90014523
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCc1ccc(N(Cc2cccc(-c3nccs3)c2)C(=O)NC(C)C)cc1
InChIInChI=1S/C21H23N3OS/c1-15(2)23-21(25)24(19-9-7-16(3)8-10-19)14-17-5-4-6-18(13-17)20-22-11-12-26-20/h4-13,15H,14H2,1-3H3,(H,23,25)
InChIKeyRBAABEFWEFGNPA-UHFFFAOYSA-N
XLogP5.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90015026
3-(3,5-dichlorophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014455
4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
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N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
CID 123946042
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide
CID 123278346
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
3-(5-tert-butyl-2-methoxyphenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014051
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea (CID 90014523) is 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea is Cc1ccc(N(Cc2cccc(-c3nccs3)c2)C(=O)NC(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The InChIKey is RBAABEFWEFGNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15(2)23-21(25)24(19-9-7-16(3)8-10-19)14-17-5-4-6-18(13-17)20-22-11-12-26-20/h4-13,15H,14H2,1-3H3,(H,23,25).
What are the key properties of 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea?
1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea has a molecular weight of 365.50 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea is sourced from PubChem (CID 90014523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).