2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide

C11H13N5OS — CID 4813931

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
SMILESCC(Sc1nnnn1C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H13N5OS/c1-8(18-11-13-14-15-16(11)2)10(17)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,17)
InChIKeyBHEZLZYDSQBSOG-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.33
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide (PubChem CID 4813931) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
PubChem CID4813931
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
SMILESCC(Sc1nnnn1C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H13N5OS/c1-8(18-11-13-14-15-16(11)2)10(17)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,17)
InChIKeyBHEZLZYDSQBSOG-UHFFFAOYSA-N
XLogP1.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.33
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
N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
Cambridge id 6954776
CID 716699
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
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3919132
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
CID 9619306
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 16305823

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide (CID 4813931) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide is CC(Sc1nnnn1C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is BHEZLZYDSQBSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-8(18-11-13-14-15-16(11)2)10(17)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,17).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 263.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 4813931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).