4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C11H16N2OS — CID 90464362

IUPAC4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1csc(C2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H16N2OS/c1-7-6-15-11(13-7)9-4-2-8(3-5-9)10(12)14/h6,8-9H,2-5H2,1H3,(H2,12,14)
InChIKeyVJZBCZLJPKTDEV-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.21
Rot. Bonds2

About 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 90464362) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID90464362
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1csc(C2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H16N2OS/c1-7-6-15-11(13-7)9-4-2-8(3-5-9)10(12)14/h6,8-9H,2-5H2,1H3,(H2,12,14)
InChIKeyVJZBCZLJPKTDEV-UHFFFAOYSA-N
XLogP2.21
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 90464362) is 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is Cc1csc(C2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is VJZBCZLJPKTDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-6-15-11(13-7)9-4-2-8(3-5-9)10(12)14/h6,8-9H,2-5H2,1H3,(H2,12,14).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 90464362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).