3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide

C12H18N6OS — CID 118794833

IUPAC3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCCc1nc(CNC(=O)CCn2nnnc2C)cs1
InChIInChI=1S/C12H18N6OS/c1-3-4-12-14-10(8-20-12)7-13-11(19)5-6-18-9(2)15-16-17-18/h8H,3-7H2,1-2H3,(H,13,19)
InChIKeyFFUKTNZMNPFIFM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.10
Rot. Bonds7

About 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide

3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 118794833) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID118794833
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCCc1nc(CNC(=O)CCn2nnnc2C)cs1
InChIInChI=1S/C12H18N6OS/c1-3-4-12-14-10(8-20-12)7-13-11(19)5-6-18-9(2)15-16-17-18/h8H,3-7H2,1-2H3,(H,13,19)
InChIKeyFFUKTNZMNPFIFM-UHFFFAOYSA-N
XLogP1.10
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide 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 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide (CID 118794833) is 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide is CCCc1nc(CNC(=O)CCn2nnnc2C)cs1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is FFUKTNZMNPFIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-4-12-14-10(8-20-12)7-13-11(19)5-6-18-9(2)15-16-17-18/h8H,3-7H2,1-2H3,(H,13,19).
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide?
3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 294.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 118794833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).