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

C11H17N5S — CID 86815696

IUPAC2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2ncc(C(C)C)s2)n(C)n1
InChIInChI=1S/C11H17N5S/c1-7(2)9-5-12-10(17-9)6-13-11-14-8(3)15-16(11)4/h5,7H,6H2,1-4H3,(H,13,14,15)
InChIKeyAKCIUAGQYZCKLM-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.32
Rot. Bonds4

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

2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 86815696) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID86815696
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2ncc(C(C)C)s2)n(C)n1
InChIInChI=1S/C11H17N5S/c1-7(2)9-5-12-10(17-9)6-13-11-14-8(3)15-16(11)4/h5,7H,6H2,1-4H3,(H,13,14,15)
InChIKeyAKCIUAGQYZCKLM-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine (CID 86815696) is 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine is Cc1nc(NCc2ncc(C(C)C)s2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is AKCIUAGQYZCKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(2)9-5-12-10(17-9)6-13-11-14-8(3)15-16(11)4/h5,7H,6H2,1-4H3,(H,13,14,15).
What are the key properties of 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 251.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 86815696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).