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

C15H15ClN4O2S — CID 87229772

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea
SMILESO=C(Nc1ncc(Cl)s1)Nc1ccncc1C(=O)C1CCCC1
InChIInChI=1S/C15H15ClN4O2S/c16-12-8-18-15(23-12)20-14(22)19-11-5-6-17-7-10(11)13(21)9-3-1-2-4-9/h5-9H,1-4H2,(H2,17,18,19,20,22)
InChIKeyRSGDWCAHODKDLW-UHFFFAOYSA-N
MW350.83 g/mol
LogP4.21
Rot. Bonds4

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

1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea (PubChem CID 87229772) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea
PubChem CID87229772
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea
SMILESO=C(Nc1ncc(Cl)s1)Nc1ccncc1C(=O)C1CCCC1
InChIInChI=1S/C15H15ClN4O2S/c16-12-8-18-15(23-12)20-14(22)19-11-5-6-17-7-10(11)13(21)9-3-1-2-4-9/h5-9H,1-4H2,(H2,17,18,19,20,22)
InChIKeyRSGDWCAHODKDLW-UHFFFAOYSA-N
XLogP4.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea (CID 87229772) is 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea is O=C(Nc1ncc(Cl)s1)Nc1ccncc1C(=O)C1CCCC1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea?
The InChIKey is RSGDWCAHODKDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c16-12-8-18-15(23-12)20-14(22)19-11-5-6-17-7-10(11)13(21)9-3-1-2-4-9/h5-9H,1-4H2,(H2,17,18,19,20,22).
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea?
1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea has a molecular weight of 350.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-3-[3-(cyclopentanecarbonyl)-4-pyridinyl]urea is sourced from PubChem (CID 87229772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).