N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide

C12H14FN5OS — CID 644910

IUPACN-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FN5OS/c1-2-7-18-12(15-16-17-18)20-8-11(19)14-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKeySZEUUBATKWJWPH-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.95
Rot. Bonds6

About N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide

N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide (PubChem CID 644910) has the molecular formula C12H14FN5OS and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
PubChem CID644910
Molecular FormulaC12H14FN5OS
Molecular Weight295.34 g/mol
Exact Mass295.09
IUPAC NameN-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FN5OS/c1-2-7-18-12(15-16-17-18)20-8-11(19)14-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKeySZEUUBATKWJWPH-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-({4-ethyl-5-[(ethylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(4-fluorophenyl)acetamide
CID 2231699
N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2364876
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
N-(2,4-difluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 703294
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 1224972

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide (CID 644910) is N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide is CCCn1nnnc1SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SZEUUBATKWJWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5OS/c1-2-7-18-12(15-16-17-18)20-8-11(19)14-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,19).
What are the key properties of N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 295.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 644910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).