N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide

C13H16N4OS — CID 97306373

IUPACN-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide
SMILESCc1nnc([C@H](C)NC(=O)CCc2ccccn2)s1
InChIInChI=1S/C13H16N4OS/c1-9(13-17-16-10(2)19-13)15-12(18)7-6-11-5-3-4-8-14-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyIKYMKQDSOIVKBU-VIFPVBQESA-N
MW276.36 g/mol
LogP2.05
Rot. Bonds5

About N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide

N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide (PubChem CID 97306373) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide
PubChem CID97306373
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide
SMILESCc1nnc([C@H](C)NC(=O)CCc2ccccn2)s1
InChIInChI=1S/C13H16N4OS/c1-9(13-17-16-10(2)19-13)15-12(18)7-6-11-5-3-4-8-14-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,18)/t9-/m0/s1
InChIKeyIKYMKQDSOIVKBU-VIFPVBQESA-N
XLogP2.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
3-hydroxy-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 114289566
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide
CID 95275156
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide (CID 97306373) is N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide is Cc1nnc([C@H](C)NC(=O)CCc2ccccn2)s1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is IKYMKQDSOIVKBU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(13-17-16-10(2)19-13)15-12(18)7-6-11-5-3-4-8-14-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide?
N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 276.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 97306373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).