(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate

C10H13N5O2S — CID 55769227

IUPAC(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCCCn1nnnc1COC(=O)c1scnc1C
InChIInChI=1S/C10H13N5O2S/c1-3-4-15-8(12-13-14-15)5-17-10(16)9-7(2)11-6-18-9/h6H,3-5H2,1-2H3
InChIKeyMTDSUGXOKJYDCS-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.21
Rot. Bonds5

About (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate

(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55769227) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate
PubChem CID55769227
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCCCn1nnnc1COC(=O)c1scnc1C
InChIInChI=1S/C10H13N5O2S/c1-3-4-15-8(12-13-14-15)5-17-10(16)9-7(2)11-6-18-9/h6H,3-5H2,1-2H3
InChIKeyMTDSUGXOKJYDCS-UHFFFAOYSA-N
XLogP1.21
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate (CID 55769227) is (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate is CCCn1nnnc1COC(=O)c1scnc1C.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is MTDSUGXOKJYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-4-15-8(12-13-14-15)5-17-10(16)9-7(2)11-6-18-9/h6H,3-5H2,1-2H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate?
(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 267.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55769227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).