4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine

C10H15N5S — CID 165452171

IUPAC4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cn(Cc2csc(N)n2)nn1
InChIInChI=1S/C10H15N5S/c1-10(2,3)8-5-15(14-13-8)4-7-6-16-9(11)12-7/h5-6H,4H2,1-3H3,(H2,11,12)
InChIKeyREOYEGPJDHHJPV-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.66
Rot. Bonds2

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

4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 165452171) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID165452171
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cn(Cc2csc(N)n2)nn1
InChIInChI=1S/C10H15N5S/c1-10(2,3)8-5-15(14-13-8)4-7-6-16-9(11)12-7/h5-6H,4H2,1-3H3,(H2,11,12)
InChIKeyREOYEGPJDHHJPV-UHFFFAOYSA-N
XLogP1.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine (CID 165452171) is 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine is CC(C)(C)c1cn(Cc2csc(N)n2)nn1.
What is the InChIKey of 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is REOYEGPJDHHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-10(2,3)8-5-15(14-13-8)4-7-6-16-9(11)12-7/h5-6H,4H2,1-3H3,(H2,11,12).
What are the key properties of 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine?
4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyltriazol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 165452171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).