4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole

C14H22ClNS — CID 79816559

IUPAC4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CC2CCCCC2Cl)n1
InChIInChI=1S/C14H22ClNS/c1-14(2,3)12-9-17-13(16-12)8-10-6-4-5-7-11(10)15/h9-11H,4-8H2,1-3H3
InChIKeyMQYGOXLETWOUJR-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.78
Rot. Bonds2

About 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole

4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole (PubChem CID 79816559) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
PubChem CID79816559
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CC2CCCCC2Cl)n1
InChIInChI=1S/C14H22ClNS/c1-14(2,3)12-9-17-13(16-12)8-10-6-4-5-7-11(10)15/h9-11H,4-8H2,1-3H3
InChIKeyMQYGOXLETWOUJR-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine
CID 81010240
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine
CID 79817611
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 114451769
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 83196388
2-[(4-bromooxan-3-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 106471592
2-[(2-chlorocycloheptyl)methyl]-4-phenyl-1,3-thiazole
CID 79816966
2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
CID 79824963
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612
4-tert-butyl-2-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole
CID 79816785
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol
CID 115927169
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 79032529
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopentylsulfanylpropan-2-one
CID 79820106

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole (CID 79816559) is 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole is CC(C)(C)c1csc(CC2CCCCC2Cl)n1.
What is the InChIKey of 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole?
The InChIKey is MQYGOXLETWOUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-14(2,3)12-9-17-13(16-12)8-10-6-4-5-7-11(10)15/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole has a molecular weight of 271.86 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole is sourced from PubChem (CID 79816559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).