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

C16H15ClFN3O2S — CID 87230419

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
SMILESO=C(Nc1ncc(Cl)s1)Nc1ccc(F)cc1C(=O)C1CCCC1
InChIInChI=1S/C16H15ClFN3O2S/c17-13-8-19-16(24-13)21-15(23)20-12-6-5-10(18)7-11(12)14(22)9-3-1-2-4-9/h5-9H,1-4H2,(H2,19,20,21,23)
InChIKeyJAKMCTCDXLHOKF-UHFFFAOYSA-N
MW367.83 g/mol
LogP4.95
Rot. Bonds4

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

1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea (PubChem CID 87230419) has the molecular formula C16H15ClFN3O2S and a molecular weight of 367.83 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
PubChem CID87230419
Molecular FormulaC16H15ClFN3O2S
Molecular Weight367.83 g/mol
Exact Mass367.06
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
SMILESO=C(Nc1ncc(Cl)s1)Nc1ccc(F)cc1C(=O)C1CCCC1
InChIInChI=1S/C16H15ClFN3O2S/c17-13-8-19-16(24-13)21-15(23)20-12-6-5-10(18)7-11(12)14(22)9-3-1-2-4-9/h5-9H,1-4H2,(H2,19,20,21,23)
InChIKeyJAKMCTCDXLHOKF-UHFFFAOYSA-N
XLogP4.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
CID 87230265
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
1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea
CID 87230188
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-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 87417578
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
2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 87231572
1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea
CID 87231327
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazol-2-yl]urea
CID 59732687
methyl 3-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-5-yl]sulfanyl]propanoate
CID 59733051

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea (CID 87230419) is 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea is O=C(Nc1ncc(Cl)s1)Nc1ccc(F)cc1C(=O)C1CCCC1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea?
The InChIKey is JAKMCTCDXLHOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2S/c17-13-8-19-16(24-13)21-15(23)20-12-6-5-10(18)7-11(12)14(22)9-3-1-2-4-9/h5-9H,1-4H2,(H2,19,20,21,23).
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea?
1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea has a molecular weight of 367.83 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea is sourced from PubChem (CID 87230419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).