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

C16H15Cl2N3O2S — CID 87230265

IUPAC1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1
InChIInChI=1S/C16H15Cl2N3O2S/c17-10-5-6-12(11(7-10)14(22)9-3-1-2-4-9)20-15(23)21-16-19-8-13(18)24-16/h5-9H,1-4H2,(H2,19,20,21,23)
InChIKeyLTSQNUJRAFDNBP-UHFFFAOYSA-N
MW384.29 g/mol
LogP5.47
Rot. Bonds4

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

1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea (PubChem CID 87230265) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
PubChem CID87230265
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1
InChIInChI=1S/C16H15Cl2N3O2S/c17-10-5-6-12(11(7-10)14(22)9-3-1-2-4-9)20-15(23)21-16-19-8-13(18)24-16/h5-9H,1-4H2,(H2,19,20,21,23)
InChIKeyLTSQNUJRAFDNBP-UHFFFAOYSA-N
XLogP5.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.29
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea (CID 87230265) is 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea is O=C(Nc1ncc(Cl)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1.
What is the InChIKey of 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea?
The InChIKey is LTSQNUJRAFDNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c17-10-5-6-12(11(7-10)14(22)9-3-1-2-4-9)20-15(23)21-16-19-8-13(18)24-16/h5-9H,1-4H2,(H2,19,20,21,23).
What are the key properties of 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea?
1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea has a molecular weight of 384.29 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87230265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).