2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

C12H15N5OS — CID 47329361

IUPAC2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCSC(C)C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C12H15N5OS/c1-8(19-3)12(18)13-10-5-4-6-11(7-10)17-9(2)14-15-16-17/h4-8H,1-3H3,(H,13,18)
InChIKeyRLTWZDNEAHTGGI-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.66
Rot. Bonds4

About 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (PubChem CID 47329361) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
PubChem CID47329361
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCSC(C)C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C12H15N5OS/c1-8(19-3)12(18)13-10-5-4-6-11(7-10)17-9(2)14-15-16-17/h4-8H,1-3H3,(H,13,18)
InChIKeyRLTWZDNEAHTGGI-UHFFFAOYSA-N
XLogP1.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (CID 47329361) is 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is CSC(C)C(=O)Nc1cccc(-n2nnnc2C)c1.
What is the InChIKey of 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The InChIKey is RLTWZDNEAHTGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8(19-3)12(18)13-10-5-4-6-11(7-10)17-9(2)14-15-16-17/h4-8H,1-3H3,(H,13,18).
What are the key properties of 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 277.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 47329361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).