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

C10H15N5S — CID 64544292

IUPACN-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C10H15N5S/c1-3-4-11-7(2)8-5-16-10(14-8)9-12-6-13-15-9/h5-7,11H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyNFFMVGVDQWSNCS-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.99
Rot. Bonds5

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

N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64544292) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64544292
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C10H15N5S/c1-3-4-11-7(2)8-5-16-10(14-8)9-12-6-13-15-9/h5-7,11H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyNFFMVGVDQWSNCS-UHFFFAOYSA-N
XLogP1.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544305
N-[1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545116
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 107931873
N-[1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544498
N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
CID 102691031
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542717
N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 79980981
N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 104817796
N-propyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347673
2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64558074

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64544292) is N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(-c2ncn[nH]2)n1.
What is the InChIKey of N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is NFFMVGVDQWSNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-3-4-11-7(2)8-5-16-10(14-8)9-12-6-13-15-9/h5-7,11H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64544292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).