N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide

C14H17N5O2S — CID 131916522

IUPACN'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide
SMILESCc1cccnc1C(C)NC(=O)CCC(=O)Nc1nncs1
InChIInChI=1S/C14H17N5O2S/c1-9-4-3-7-15-13(9)10(2)17-11(20)5-6-12(21)18-14-19-16-8-22-14/h3-4,7-8,10H,5-6H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyKUMSCZGNHINVCG-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.84
Rot. Bonds6

About N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide

N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 131916522) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID131916522
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide
SMILESCc1cccnc1C(C)NC(=O)CCC(=O)Nc1nncs1
InChIInChI=1S/C14H17N5O2S/c1-9-4-3-7-15-13(9)10(2)17-11(20)5-6-12(21)18-14-19-16-8-22-14/h3-4,7-8,10H,5-6H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyKUMSCZGNHINVCG-UHFFFAOYSA-N
XLogP1.84
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide
CID 131895144
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
CID 3580525
2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19178770
(2S)-2-ethyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 750504
4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 649235
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide
CID 46980717
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide
CID 164632916
2-[methyl(piperidin-4-yl)amino]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]acetamide
CID 125442607
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
4-(4-methoxyphenyl)-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 49024048

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide (CID 131916522) is N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide is Cc1cccnc1C(C)NC(=O)CCC(=O)Nc1nncs1.
What is the InChIKey of N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is KUMSCZGNHINVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-4-3-7-15-13(9)10(2)17-11(20)5-6-12(21)18-14-19-16-8-22-14/h3-4,7-8,10H,5-6H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide?
N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 319.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 131916522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).