N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C11H11ClN4OS2 — CID 84866005

IUPACN-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SC(C)C(=O)Nc2cccnc2Cl)s1
InChIInChI=1S/C11H11ClN4OS2/c1-6(18-11-16-15-7(2)19-11)10(17)14-8-4-3-5-13-9(8)12/h3-6H,1-2H3,(H,14,17)
InChIKeyKOBQQLSIQYWWAP-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.01
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 84866005) has the molecular formula C11H11ClN4OS2 and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID84866005
Molecular FormulaC11H11ClN4OS2
Molecular Weight314.82 g/mol
Exact Mass314.01
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SC(C)C(=O)Nc2cccnc2Cl)s1
InChIInChI=1S/C11H11ClN4OS2/c1-6(18-11-16-15-7(2)19-11)10(17)14-8-4-3-5-13-9(8)12/h3-6H,1-2H3,(H,14,17)
InChIKeyKOBQQLSIQYWWAP-UHFFFAOYSA-N
XLogP3.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)propanamide
CID 55420355
(2R)-N-(2-chloro-3-pyridinyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972934
N-(2-chloro-3-pyridinyl)-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 55421666
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 4819393
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 18777406
(2S)-N-(2-chloro-3-pyridinyl)-2-[[5-[cyclopropyl(propanoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9064567
(2S)-N-(2-chloro-3-pyridinyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735108
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23942509
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23970433
(2R)-N-(3-chloro-2-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8888554

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 84866005) is N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(SC(C)C(=O)Nc2cccnc2Cl)s1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is KOBQQLSIQYWWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS2/c1-6(18-11-16-15-7(2)19-11)10(17)14-8-4-3-5-13-9(8)12/h3-6H,1-2H3,(H,14,17).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 314.82 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 84866005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).