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

C10H15N5S — CID 66374171

IUPAC2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)c1nc(-c2csc(CCN)n2)n[nH]1
InChIInChI=1S/C10H15N5S/c1-6(2)9-13-10(15-14-9)7-5-16-8(12-7)3-4-11/h5-6H,3-4,11H2,1-2H3,(H,13,14,15)
InChIKeyDXEZMEDNNIRVSX-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.55
Rot. Bonds4

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

2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66374171) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66374171
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)c1nc(-c2csc(CCN)n2)n[nH]1
InChIInChI=1S/C10H15N5S/c1-6(2)9-13-10(15-14-9)7-5-16-8(12-7)3-4-11/h5-6H,3-4,11H2,1-2H3,(H,13,14,15)
InChIKeyDXEZMEDNNIRVSX-UHFFFAOYSA-N
XLogP1.55
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine (CID 66374171) is 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine is CC(C)c1nc(-c2csc(CCN)n2)n[nH]1.
What is the InChIKey of 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is DXEZMEDNNIRVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-6(2)9-13-10(15-14-9)7-5-16-8(12-7)3-4-11/h5-6H,3-4,11H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 237.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66374171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).