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

C11H17N5S — CID 62721080

IUPAC4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1nc(C(C)(C)C)nc1Cc1csc(N)n1
InChIInChI=1S/C11H17N5S/c1-11(2,3)9-14-8(16(4)15-9)5-7-6-17-10(12)13-7/h6H,5H2,1-4H3,(H2,12,13)
InChIKeyXPDQAXFAZBPTSL-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.74
Rot. Bonds2

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

4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 62721080) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID62721080
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1nc(C(C)(C)C)nc1Cc1csc(N)n1
InChIInChI=1S/C11H17N5S/c1-11(2,3)9-14-8(16(4)15-9)5-7-6-17-10(12)13-7/h6H,5H2,1-4H3,(H2,12,13)
InChIKeyXPDQAXFAZBPTSL-UHFFFAOYSA-N
XLogP1.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 62721080) is 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is Cn1nc(C(C)(C)C)nc1Cc1csc(N)n1.
What is the InChIKey of 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is XPDQAXFAZBPTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-11(2,3)9-14-8(16(4)15-9)5-7-6-17-10(12)13-7/h6H,5H2,1-4H3,(H2,12,13).
What are the key properties of 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62721080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).