[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol

C12H18N4OS — CID 82221790

IUPAC[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESCc1nc(-n2nnc(CO)c2C(C)(C)C)sc1C
InChIInChI=1S/C12H18N4OS/c1-7-8(2)18-11(13-7)16-10(12(3,4)5)9(6-17)14-15-16/h17H,6H2,1-5H3
InChIKeyXDZMZVPKKSYPAG-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.13
Rot. Bonds2

About [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol

[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol (PubChem CID 82221790) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
PubChem CID82221790
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESCc1nc(-n2nnc(CO)c2C(C)(C)C)sc1C
InChIInChI=1S/C12H18N4OS/c1-7-8(2)18-11(13-7)16-10(12(3,4)5)9(6-17)14-15-16/h17H,6H2,1-5H3
InChIKeyXDZMZVPKKSYPAG-UHFFFAOYSA-N
XLogP2.13
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine
CID 82221855
3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
CID 82221898
[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221862
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221857
[1-(4-bromophenyl)-5-tert-butyltriazol-4-yl]methanol
CID 94938695
[5-tert-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686716
[5-tert-butyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769261
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methoxymethyl)triazole-4-carbaldehyde
CID 82221848
(5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol
CID 82206812
[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol
CID 82197444
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221782
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82221800

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The IUPAC name of [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol (CID 82221790) is [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol is Cc1nc(-n2nnc(CO)c2C(C)(C)C)sc1C.
What is the InChIKey of [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The InChIKey is XDZMZVPKKSYPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-7-8(2)18-11(13-7)16-10(12(3,4)5)9(6-17)14-15-16/h17H,6H2,1-5H3.
What are the key properties of [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol has a molecular weight of 266.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82221790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).