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

C9H13N5S — CID 164854211

IUPAC4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine
SMILESCc1ncnn1CCCc1csc(N)n1
InChIInChI=1S/C9H13N5S/c1-7-11-6-12-14(7)4-2-3-8-5-15-9(10)13-8/h5-6H,2-4H2,1H3,(H2,10,13)
InChIKeyPXCXPNGVWJVVMR-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.26
Rot. Bonds4

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

4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 164854211) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine
PubChem CID164854211
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine
SMILESCc1ncnn1CCCc1csc(N)n1
InChIInChI=1S/C9H13N5S/c1-7-11-6-12-14(7)4-2-3-8-5-15-9(10)13-8/h5-6H,2-4H2,1H3,(H2,10,13)
InChIKeyPXCXPNGVWJVVMR-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine (CID 164854211) is 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine is Cc1ncnn1CCCc1csc(N)n1.
What is the InChIKey of 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is PXCXPNGVWJVVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-7-11-6-12-14(7)4-2-3-8-5-15-9(10)13-8/h5-6H,2-4H2,1H3,(H2,10,13).
What are the key properties of 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine?
4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methyl-1,2,4-triazol-1-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 164854211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).