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

C12H19N5S — CID 86795192

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2csc(C(C)(C)C)n2)n(C)n1
InChIInChI=1S/C12H19N5S/c1-8-14-11(17(5)16-8)13-6-9-7-18-10(15-9)12(2,3)4/h7H,6H2,1-5H3,(H,13,14,16)
InChIKeyZIXBUKWPANQMJQ-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.49
Rot. Bonds3

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (PubChem CID 86795192) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
PubChem CID86795192
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2csc(C(C)(C)C)n2)n(C)n1
InChIInChI=1S/C12H19N5S/c1-8-14-11(17(5)16-8)13-6-9-7-18-10(15-9)12(2,3)4/h7H,6H2,1-5H3,(H,13,14,16)
InChIKeyZIXBUKWPANQMJQ-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (CID 86795192) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is Cc1nc(NCc2csc(C(C)(C)C)n2)n(C)n1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is ZIXBUKWPANQMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-8-14-11(17(5)16-8)13-6-9-7-18-10(15-9)12(2,3)4/h7H,6H2,1-5H3,(H,13,14,16).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 265.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 86795192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).