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

C20H20BrN3OS — CID 90015026

IUPAC3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H20BrN3OS/c1-14(2)24(20(25)23-18-8-6-17(21)7-9-18)13-15-4-3-5-16(12-15)19-22-10-11-26-19/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyMUXQAHMSKFEVQV-UHFFFAOYSA-N
MW430.37 g/mol
LogP6.02
Rot. Bonds5

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

3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea (PubChem CID 90015026) has the molecular formula C20H20BrN3OS and a molecular weight of 430.37 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
PubChem CID90015026
Molecular FormulaC20H20BrN3OS
Molecular Weight430.37 g/mol
Exact Mass429.05
IUPAC Name3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H20BrN3OS/c1-14(2)24(20(25)23-18-8-6-17(21)7-9-18)13-15-4-3-5-16(12-15)19-22-10-11-26-19/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyMUXQAHMSKFEVQV-UHFFFAOYSA-N
XLogP6.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.37
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-(3,5-dichlorophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014455
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CID 90014051
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CID 162592763
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
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N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]propanimidamide
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1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
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1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014523
3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764369
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The IUPAC name of 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea (CID 90015026) is 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea.
What is the SMILES notation for 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The canonical SMILES for 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea is CC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The InChIKey is MUXQAHMSKFEVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3OS/c1-14(2)24(20(25)23-18-8-6-17(21)7-9-18)13-15-4-3-5-16(12-15)19-22-10-11-26-19/h3-12,14H,13H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea?
3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea has a molecular weight of 430.37 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea is sourced from PubChem (CID 90015026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).