N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

C12H18N2OS — CID 903390

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESCc1nc(NC(=O)C2CCCCC2)sc1C
InChIInChI=1S/C12H18N2OS/c1-8-9(2)16-12(13-8)14-11(15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyONHVSTCBBDWPOI-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.28
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (PubChem CID 903390) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
PubChem CID903390
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESCc1nc(NC(=O)C2CCCCC2)sc1C
InChIInChI=1S/C12H18N2OS/c1-8-9(2)16-12(13-8)14-11(15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyONHVSTCBBDWPOI-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 836485
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclohexanecarboxylic acid
CID 4620666
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 903546
N-(4,5-dimethyl-1,3-thiazol-2-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 2967444
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 857960
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 1441341
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 790244
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 17191161
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 813320
N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 813327
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 3284051

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (CID 903390) is N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is Cc1nc(NC(=O)C2CCCCC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is ONHVSTCBBDWPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-9(2)16-12(13-8)14-11(15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 238.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 903390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).