1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol

C16H27NOS — CID 79820634

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2nc(C(C)(C)C)cs2)C1C
InChIInChI=1S/C16H27NOS/c1-11-7-6-8-16(18,12(11)2)9-14-17-13(10-19-14)15(3,4)5/h10-12,18H,6-9H2,1-5H3
InChIKeyMQRDNFHEFDDYFK-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.17
Rot. Bonds2

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 79820634) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
PubChem CID79820634
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2nc(C(C)(C)C)cs2)C1C
InChIInChI=1S/C16H27NOS/c1-11-7-6-8-16(18,12(11)2)9-14-17-13(10-19-14)15(3,4)5/h10-12,18H,6-9H2,1-5H3
InChIKeyMQRDNFHEFDDYFK-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 79819712
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 79820557
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79827472
3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol
CID 80562975
1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154331
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999371
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 79820547
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol
CID 115927169
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539038
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505982
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-propylazepan-4-ol
CID 79827475
1-bicyclo[1.1.0]butanyl-[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 167787528

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol (CID 79820634) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(Cc2nc(C(C)(C)C)cs2)C1C.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is MQRDNFHEFDDYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-11-7-6-8-16(18,12(11)2)9-14-17-13(10-19-14)15(3,4)5/h10-12,18H,6-9H2,1-5H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 281.46 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79820634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).