4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile

C10H11ClN2OS — CID 130580649

IUPAC4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(OCC2CCCC2)nc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-9-8(5-12)15-10(13-9)14-6-7-3-1-2-4-7/h7H,1-4,6H2
InChIKeyJENRGMPRJVRTLN-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.24
Rot. Bonds3

About 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile

4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile (PubChem CID 130580649) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile
PubChem CID130580649
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(OCC2CCCC2)nc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-9-8(5-12)15-10(13-9)14-6-7-3-1-2-4-7/h7H,1-4,6H2
InChIKeyJENRGMPRJVRTLN-UHFFFAOYSA-N
XLogP3.24
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile (CID 130580649) is 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile is N#Cc1sc(OCC2CCCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile?
The InChIKey is JENRGMPRJVRTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c11-9-8(5-12)15-10(13-9)14-6-7-3-1-2-4-7/h7H,1-4,6H2.
What are the key properties of 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile has a molecular weight of 242.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 130580649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).