2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine

C16H19N5S — CID 174750075

IUPAC2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine
SMILESCCCCC(c1cccc(-n2cncn2)c1)c1nc(N)cs1
InChIInChI=1S/C16H19N5S/c1-2-3-7-14(16-20-15(17)9-22-16)12-5-4-6-13(8-12)21-11-18-10-19-21/h4-6,8-11,14H,2-3,7,17H2,1H3
InChIKeyAIMTYGYXUKAIEL-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.63
Rot. Bonds6

About 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine

2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine (PubChem CID 174750075) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine
PubChem CID174750075
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine
SMILESCCCCC(c1cccc(-n2cncn2)c1)c1nc(N)cs1
InChIInChI=1S/C16H19N5S/c1-2-3-7-14(16-20-15(17)9-22-16)12-5-4-6-13(8-12)21-11-18-10-19-21/h4-6,8-11,14H,2-3,7,17H2,1H3
InChIKeyAIMTYGYXUKAIEL-UHFFFAOYSA-N
XLogP3.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine (CID 174750075) is 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine is CCCCC(c1cccc(-n2cncn2)c1)c1nc(N)cs1.
What is the InChIKey of 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine?
The InChIKey is AIMTYGYXUKAIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-2-3-7-14(16-20-15(17)9-22-16)12-5-4-6-13(8-12)21-11-18-10-19-21/h4-6,8-11,14H,2-3,7,17H2,1H3.
What are the key properties of 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine?
2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine has a molecular weight of 313.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1,2,4-triazol-1-yl)phenyl]pentyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 174750075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).