5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole

C11H16ClNS — CID 131182425

IUPAC5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole
SMILESCC1CCCCC1c1ncc(CCl)s1
InChIInChI=1S/C11H16ClNS/c1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h7-8,10H,2-6H2,1H3
InChIKeyAWQULELVWGOTNG-UHFFFAOYSA-N
MW229.78 g/mol
LogP4.18
Rot. Bonds2

About 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole

5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole (PubChem CID 131182425) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole
PubChem CID131182425
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole
SMILESCC1CCCCC1c1ncc(CCl)s1
InChIInChI=1S/C11H16ClNS/c1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h7-8,10H,2-6H2,1H3
InChIKeyAWQULELVWGOTNG-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 177798613
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CID 57443774
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CID 58180218
CID 58180218
CID 68384367
CID 68384367
CID 70849842
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CID 83382378
CID 83382378
CID 89030035
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CID 89949495
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CID 89949774
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CID 89949909
CID 89949909

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole (CID 131182425) is 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole is CC1CCCCC1c1ncc(CCl)s1.
What is the InChIKey of 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole?
The InChIKey is AWQULELVWGOTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole?
5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole has a molecular weight of 229.78 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2-methylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 131182425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).