4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C14H22N2OS — CID 1246597

IUPAC4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)11-6-4-10(5-7-11)12(17)16-13-15-8-9-18-13/h8-11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyRWZBMBKXQPUQBP-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.93
Rot. Bonds2

About 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 1246597) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID1246597
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)11-6-4-10(5-7-11)12(17)16-13-15-8-9-18-13/h8-11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyRWZBMBKXQPUQBP-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 2666601
4-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 8151663
3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 711478
N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3121269
2-(1-{[(1,3-Thiazol-2-yl)carbamoyl]methyl}cyclohexyl)acetic acid
CID 265311
3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 663198
Ethyl 2-cyclohexyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoate
CID 2877903
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
3-oxo-N-(1,3-thiazol-2-yl)dodecanamide
CID 53238622
N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 585608
1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60584383
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 11912297

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 1246597) is 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is RWZBMBKXQPUQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)11-6-4-10(5-7-11)12(17)16-13-15-8-9-18-13/h8-11H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 1246597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).