1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea

C32H30Br2ClFN6O4S2 — CID 159846664

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
SMILESO=C(Nc1ncc(Br)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1.O=C(Nc1ncc(Br)s1)Nc1ccc(F)cc1C(=O)C1CCCC1
InChIInChI=1S/C16H15BrClN3O2S.C16H15BrFN3O2S/c2*17-13-8-19-16(24-13)21-15(23)20-12-6-5-10(18)7-11(12)14(22)9-3-1-2-4-9/h2*5-9H,1-4H2,(H2,19,20,21,23)
InChIKeyNPJYQXRLFONZLO-UHFFFAOYSA-N
MW841.02 g/mol
LogP10.64
Rot. Bonds8

About 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea

1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea (PubChem CID 159846664) has the molecular formula C32H30Br2ClFN6O4S2 and a molecular weight of 841.02 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
PubChem CID159846664
Molecular FormulaC32H30Br2ClFN6O4S2
Molecular Weight841.02 g/mol
Exact Mass837.98
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
SMILESO=C(Nc1ncc(Br)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1.O=C(Nc1ncc(Br)s1)Nc1ccc(F)cc1C(=O)C1CCCC1
InChIInChI=1S/C16H15BrClN3O2S.C16H15BrFN3O2S/c2*17-13-8-19-16(24-13)21-15(23)20-12-6-5-10(18)7-11(12)14(22)9-3-1-2-4-9/h2*5-9H,1-4H2,(H2,19,20,21,23)
InChIKeyNPJYQXRLFONZLO-UHFFFAOYSA-N
XLogP10.64
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.02
LogP ≤ 510.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea with MolForge

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Related Compounds

1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
CID 87230419
1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
CID 87230265
2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazole-5-carboxamide
CID 87230263
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-(5-ethylsulfanyl-1,3-thiazol-2-yl)urea
CID 91003474
1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea
CID 87230188
4-[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]-3-fluorobenzoic acid
CID 63190153
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 87417578
ethyl 2-[4-[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]-2-(cyclopentanecarbonyl)phenyl]acetate
CID 87230528
2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate
CID 150565599
1-[5-[(carbamoylamino)methyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea
CID 87231040
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[5-[(diaminomethylideneamino)methyl]-1,3-thiazol-2-yl]urea
CID 87230423

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea (CID 159846664) is 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea is O=C(Nc1ncc(Br)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1.O=C(Nc1ncc(Br)s1)Nc1ccc(F)cc1C(=O)C1CCCC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea?
The InChIKey is NPJYQXRLFONZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O2S.C16H15BrFN3O2S/c2*17-13-8-19-16(24-13)21-15(23)20-12-6-5-10(18)7-11(12)14(22)9-3-1-2-4-9/h2*5-9H,1-4H2,(H2,19,20,21,23).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea?
1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea has a molecular weight of 841.02 g/mol, XLogP of 10.64, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-chloro-2-(cyclopentanecarbonyl)phenyl]urea;1-(5-bromo-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea is sourced from PubChem (CID 159846664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).