4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile

C10H11ClN2OS — CID 130580621

IUPAC4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(OC2CCCCC2)nc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-9-8(6-12)15-10(13-9)14-7-4-2-1-3-5-7/h7H,1-5H2
InChIKeyMQKGFXHVUHDSGP-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.38
Rot. Bonds2

About 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile

4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile (PubChem CID 130580621) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile
PubChem CID130580621
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(OC2CCCCC2)nc1Cl
InChIInChI=1S/C10H11ClN2OS/c11-9-8(6-12)15-10(13-9)14-7-4-2-1-3-5-7/h7H,1-5H2
InChIKeyMQKGFXHVUHDSGP-UHFFFAOYSA-N
XLogP3.38
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 5325028
CID 5325028
CID 130580627
CID 130580627
CID 130580628
CID 130580628
CID 130580629
CID 130580629
CID 130580636
CID 130580636
CID 130580649
CID 130580649
CID 130580650
CID 130580650

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile (CID 130580621) is 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile is N#Cc1sc(OC2CCCCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile?
The InChIKey is MQKGFXHVUHDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c11-9-8(6-12)15-10(13-9)14-7-4-2-1-3-5-7/h7H,1-5H2.
What are the key properties of 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile?
4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile has a molecular weight of 242.73 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexyloxy-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 130580621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).