(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone

C9H10N4OS — CID 114686087

IUPAC(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone
SMILESCCCn1nncc1C(=O)c1cncs1
InChIInChI=1S/C9H10N4OS/c1-2-3-13-7(4-11-12-13)9(14)8-5-10-6-15-8/h4-6H,2-3H2,1H3
InChIKeyPZHKUABRUGOAMY-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.38
Rot. Bonds4

About (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone

(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 114686087) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID114686087
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone
SMILESCCCn1nncc1C(=O)c1cncs1
InChIInChI=1S/C9H10N4OS/c1-2-3-13-7(4-11-12-13)9(14)8-5-10-6-15-8/h4-6H,2-3H2,1H3
InChIKeyPZHKUABRUGOAMY-UHFFFAOYSA-N
XLogP1.38
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone (CID 114686087) is (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone is CCCn1nncc1C(=O)c1cncs1.
What is the InChIKey of (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is PZHKUABRUGOAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-2-3-13-7(4-11-12-13)9(14)8-5-10-6-15-8/h4-6H,2-3H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone?
(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 222.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 114686087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).