(5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone

C16H17ClN2OS — CID 43044066

IUPAC(5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)s1)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C16H17ClN2OS/c17-14-10-9-13(21-14)16(20)19-11-5-4-8-15(19)18-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2/b18-15+
InChIKeyVZUDTVVJQJFOKU-OBGWFSINSA-N
MW320.85 g/mol
LogP4.12
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone

(5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone (PubChem CID 43044066) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone
PubChem CID43044066
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name(5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)s1)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C16H17ClN2OS/c17-14-10-9-13(21-14)16(20)19-11-5-4-8-15(19)18-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2/b18-15+
InChIKeyVZUDTVVJQJFOKU-OBGWFSINSA-N
XLogP4.12
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone (CID 43044066) is (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone is O=C(c1ccc(Cl)s1)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone?
The InChIKey is VZUDTVVJQJFOKU-OBGWFSINSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-14-10-9-13(21-14)16(20)19-11-5-4-8-15(19)18-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2/b18-15+.
What are the key properties of (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone?
(5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone has a molecular weight of 320.85 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-cyclohexylimino-1-pyridinyl)methanone is sourced from PubChem (CID 43044066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).