4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine

C9H13N5S — CID 62786742

IUPAC4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
SMILESCCCc1nc(-c2csc(N)n2)n(C)n1
InChIInChI=1S/C9H13N5S/c1-3-4-7-12-8(14(2)13-7)6-5-15-9(10)11-6/h5H,3-4H2,1-2H3,(H2,10,11)
InChIKeyUEBGKEMFDOPTQS-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.47
Rot. Bonds3

About 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine

4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 62786742) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
PubChem CID62786742
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
SMILESCCCc1nc(-c2csc(N)n2)n(C)n1
InChIInChI=1S/C9H13N5S/c1-3-4-7-12-8(14(2)13-7)6-5-15-9(10)11-6/h5H,3-4H2,1-2H3,(H2,10,11)
InChIKeyUEBGKEMFDOPTQS-UHFFFAOYSA-N
XLogP1.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine (CID 62786742) is 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine is CCCc1nc(-c2csc(N)n2)n(C)n1.
What is the InChIKey of 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is UEBGKEMFDOPTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-3-4-7-12-8(14(2)13-7)6-5-15-9(10)11-6/h5H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine?
4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62786742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).