(5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C13H13ClN2OS — CID 43044553

IUPAC(5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2OS/c1-9(2)15-12-5-3-4-8-16(12)13(17)10-6-7-11(14)18-10/h3-9H,1-2H3/b15-12+
InChIKeyRNHNHODIGNWFAG-NTCAYCPXSA-N
MW280.78 g/mol
LogP3.20
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 43044553) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID43044553
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name(5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2OS/c1-9(2)15-12-5-3-4-8-16(12)13(17)10-6-7-11(14)18-10/h3-9H,1-2H3/b15-12+
InChIKeyRNHNHODIGNWFAG-NTCAYCPXSA-N
XLogP3.20
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.20
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-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 43044553) is (5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is RNHNHODIGNWFAG-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-9(2)15-12-5-3-4-8-16(12)13(17)10-6-7-11(14)18-10/h3-9H,1-2H3/b15-12+.
What are the key properties of (5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(5-chlorothiophen-2-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 280.78 g/mol, XLogP of 3.20, 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-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 43044553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).