3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide

C17H16N4OS2 — CID 66634813

IUPAC3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCSCCC(=O)N(c1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H16N4OS2/c1-23-11-9-15(22)21(14-7-3-2-4-8-14)17-20-19-16(24-17)13-6-5-10-18-12-13/h2-8,10,12H,9,11H2,1H3
InChIKeyYUYICBWKMVHEJS-UHFFFAOYSA-N
MW356.48 g/mol
LogP4.02
Rot. Bonds6

About 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide

3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 66634813) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID66634813
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCSCCC(=O)N(c1ccccc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C17H16N4OS2/c1-23-11-9-15(22)21(14-7-3-2-4-8-14)17-20-19-16(24-17)13-6-5-10-18-12-13/h2-8,10,12H,9,11H2,1H3
InChIKeyYUYICBWKMVHEJS-UHFFFAOYSA-N
XLogP4.02
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

S-methyl N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)carbamothioate
CID 87085130
N-[4-(iodomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
CID 89447201
3-(cyanoamino)-N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 73332470
N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451861
3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 3767768
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 91754454
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097
3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1451867
(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate
CID 67025846
N-butyl-4-tert-butyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3212807
N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 126635055

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 66634813) is 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide is CSCCC(=O)N(c1ccccc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is YUYICBWKMVHEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-23-11-9-15(22)21(14-7-3-2-4-8-14)17-20-19-16(24-17)13-6-5-10-18-12-13/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 356.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 66634813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).