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

C12H15N5OS — CID 975710

IUPACN-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(CNC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5OS/c1-9-3-5-10(6-4-9)7-13-11(18)8-19-12-14-15-16-17(12)2/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyYKBAPZRIMMDPPH-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.93
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 975710) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID975710
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(CNC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5OS/c1-9-3-5-10(6-4-9)7-13-11(18)8-19-12-14-15-16-17(12)2/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyYKBAPZRIMMDPPH-UHFFFAOYSA-N
XLogP0.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-[3-(trifluoromethyl)benzyl]acetamide
CID 582245
N-benzyl-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2363010
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methylacetamide
CID 2375395
N-[(4-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2410322
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4688103
N-benzyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 17395720
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 645779
N-tert-Butyl-2-[4-(4-methyl-benzylamino)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 645178
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 654690
N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 767927
1-benzyl-4-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}piperazine
CID 851622
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-benzylacetamide
CID 855554

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 975710) is N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cc1ccc(CNC(=O)CSc2nnnn2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is YKBAPZRIMMDPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9-3-5-10(6-4-9)7-13-11(18)8-19-12-14-15-16-17(12)2/h3-6H,7-8H2,1-2H3,(H,13,18).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 277.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 975710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).