(2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C8H14N4OS — CID 9378516

IUPAC(2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCNC(=O)[C@H](C)Sc1nncn1C
InChIInChI=1S/C8H14N4OS/c1-4-9-7(13)6(2)14-8-11-10-5-12(8)3/h5-6H,4H2,1-3H3,(H,9,13)/t6-/m0/s1
InChIKeyPOLNSWBHZQGDHK-LURJTMIESA-N
MW214.29 g/mol
LogP0.43
Rot. Bonds4

About (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 9378516) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID9378516
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name(2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCNC(=O)[C@H](C)Sc1nncn1C
InChIInChI=1S/C8H14N4OS/c1-4-9-7(13)6(2)14-8-11-10-5-12(8)3/h5-6H,4H2,1-3H3,(H,9,13)/t6-/m0/s1
InChIKeyPOLNSWBHZQGDHK-LURJTMIESA-N
XLogP0.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2352744
N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2374457
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464817
N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855555
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 3903717
2-((4-Methyl-4h-1,2,4-triazol-3-yl)thio)acetamide
CID 1510649
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
CID 2343993
2-(4-Methyl-4H-(1,2,4)triazol-3-ylsulfanyl)-N-tetradecyl-acetamide
CID 2802553
2-((5-Amino-4-methyl-4h-1,2,4-triazol-3-yl)thio)-N-(pentan-3-yl)acetamide
CID 40043535
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-(1,3-thiazolin-2-yl)acetamide
CID 2055093
N-(ethylcarbamoyl)-2-[[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 49582053
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 60356822

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 9378516) is (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CCNC(=O)[C@H](C)Sc1nncn1C.
What is the InChIKey of (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is POLNSWBHZQGDHK-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4OS/c1-4-9-7(13)6(2)14-8-11-10-5-12(8)3/h5-6H,4H2,1-3H3,(H,9,13)/t6-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 9378516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).