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

C10H15N5S — CID 64990454

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCC(NCCCc1ncn[nH]1)c1nccs1
InChIInChI=1S/C10H15N5S/c1-8(10-12-5-6-16-10)11-4-2-3-9-13-7-14-15-9/h5-8,11H,2-4H2,1H3,(H,13,14,15)
InChIKeyKFDWFIHFWJYKEP-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.54
Rot. Bonds6

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

N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 64990454) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID64990454
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCC(NCCCc1ncn[nH]1)c1nccs1
InChIInChI=1S/C10H15N5S/c1-8(10-12-5-6-16-10)11-4-2-3-9-13-7-14-15-9/h5-8,11H,2-4H2,1H3,(H,13,14,15)
InChIKeyKFDWFIHFWJYKEP-UHFFFAOYSA-N
XLogP1.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-methylimidazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548472
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[1-(2-chlorophenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547504
N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548241
N-[1-(4-ethoxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548047
N-[3-(1H-1,2,4-triazol-5-yl)propyl]hex-5-en-2-amine
CID 104655720
N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547875
N-[1-(2-ethoxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517417
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517608
N-[(3-methylthiophen-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64518387
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 64990454) is N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is CC(NCCCc1ncn[nH]1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is KFDWFIHFWJYKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-8(10-12-5-6-16-10)11-4-2-3-9-13-7-14-15-9/h5-8,11H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 64990454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).