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

C16H17FN6OS — CID 86836395

IUPAC3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)C(Cc2cccc(F)c2)n2nnnc2C)s1
InChIInChI=1S/C16H17FN6OS/c1-10-20-21-22-23(10)15(7-12-4-3-5-13(17)6-12)16(24)19-9-14-8-18-11(2)25-14/h3-6,8,15H,7,9H2,1-2H3,(H,19,24)
InChIKeyAVTJKWWZRPXESB-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.99
Rot. Bonds6

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

3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 86836395) has the molecular formula C16H17FN6OS and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID86836395
Molecular FormulaC16H17FN6OS
Molecular Weight360.42 g/mol
Exact Mass360.12
IUPAC Name3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)C(Cc2cccc(F)c2)n2nnnc2C)s1
InChIInChI=1S/C16H17FN6OS/c1-10-20-21-22-23(10)15(7-12-4-3-5-13(17)6-12)16(24)19-9-14-8-18-11(2)25-14/h3-6,8,15H,7,9H2,1-2H3,(H,19,24)
InChIKeyAVTJKWWZRPXESB-UHFFFAOYSA-N
XLogP1.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 86836395) is 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CNC(=O)C(Cc2cccc(F)c2)n2nnnc2C)s1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is AVTJKWWZRPXESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6OS/c1-10-20-21-22-23(10)15(7-12-4-3-5-13(17)6-12)16(24)19-9-14-8-18-11(2)25-14/h3-6,8,15H,7,9H2,1-2H3,(H,19,24).
What are the key properties of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 360.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 86836395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).