N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H14FN5OS — CID 30619760

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1cc(CNC(=O)CSc2nnnn2C)ccc1F
InChIInChI=1S/C12H14FN5OS/c1-8-5-9(3-4-10(8)13)6-14-11(19)7-20-12-15-16-17-18(12)2/h3-5H,6-7H2,1-2H3,(H,14,19)
InChIKeySADVBVYSTLZTLZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.07
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 30619760) has the molecular formula C12H14FN5OS and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID30619760
Molecular FormulaC12H14FN5OS
Molecular Weight295.34 g/mol
Exact Mass295.09
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1cc(CNC(=O)CSc2nnnn2C)ccc1F
InChIInChI=1S/C12H14FN5OS/c1-8-5-9(3-4-10(8)13)6-14-11(19)7-20-12-15-16-17-18(12)2/h3-5H,6-7H2,1-2H3,(H,14,19)
InChIKeySADVBVYSTLZTLZ-UHFFFAOYSA-N
XLogP1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 30999700
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081020
N-[(2-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 9231138
N-[(4-fluoro-3-methylphenyl)methyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 31169146
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 30580573
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-formyltriazol-1-yl)acetamide
CID 66215194
N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695416
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 29304367
2-(1-methyltetrazol-5-yl)sulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 8594524
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36727311
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 37053385

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 30619760) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cc1cc(CNC(=O)CSc2nnnn2C)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SADVBVYSTLZTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5OS/c1-8-5-9(3-4-10(8)13)6-14-11(19)7-20-12-15-16-17-18(12)2/h3-5H,6-7H2,1-2H3,(H,14,19).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 295.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 30619760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).