(4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate

C11H14N4O2S — CID 75453232

IUPAC(4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate
SMILESCCCn1cnnc1COC(=O)c1csnc1C
InChIInChI=1S/C11H14N4O2S/c1-3-4-15-7-12-13-10(15)5-17-11(16)9-6-18-14-8(9)2/h6-7H,3-5H2,1-2H3
InChIKeyKBKLRTHVYGFBJT-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.81
Rot. Bonds5

About (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate

(4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 75453232) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate
PubChem CID75453232
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name(4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate
SMILESCCCn1cnnc1COC(=O)c1csnc1C
InChIInChI=1S/C11H14N4O2S/c1-3-4-15-7-12-13-10(15)5-17-11(16)9-6-18-14-8(9)2/h6-7H,3-5H2,1-2H3
InChIKeyKBKLRTHVYGFBJT-UHFFFAOYSA-N
XLogP1.81
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate (CID 75453232) is (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate is CCCn1cnnc1COC(=O)c1csnc1C.
What is the InChIKey of (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is KBKLRTHVYGFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-4-15-7-12-13-10(15)5-17-11(16)9-6-18-14-8(9)2/h6-7H,3-5H2,1-2H3.
What are the key properties of (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate?
(4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 266.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 75453232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).