N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide

C11H16N2OS — CID 112794710

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide
SMILESCn1ccs/c1=N/C(=O)C1CCCCC1
InChIInChI=1S/C11H16N2OS/c1-13-7-8-15-11(13)12-10(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/b12-11+
InChIKeyZCVAVTRIRVDFEC-VAWYXSNFSA-N
MW224.33 g/mol
LogP2.09
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide (PubChem CID 112794710) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide
PubChem CID112794710
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide
SMILESCn1ccs/c1=N/C(=O)C1CCCCC1
InChIInChI=1S/C11H16N2OS/c1-13-7-8-15-11(13)12-10(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/b12-11+
InChIKeyZCVAVTRIRVDFEC-VAWYXSNFSA-N
XLogP2.09
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide (CID 112794710) is N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide is Cn1ccs/c1=N/C(=O)C1CCCCC1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide?
The InChIKey is ZCVAVTRIRVDFEC-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13-7-8-15-11(13)12-10(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/b12-11+.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexanecarboxamide is sourced from PubChem (CID 112794710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).