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

C12H13Cl2N5OS2 — CID 78672312

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCNc1nnc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)s1
InChIInChI=1S/C12H13Cl2N5OS2/c1-3-15-11-18-19-12(22-11)21-6(2)10(20)17-9-8(14)4-7(13)5-16-9/h4-6H,3H2,1-2H3,(H,15,18)(H,16,17,20)
InChIKeyGRRPVGKCSYROKC-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.79
Rot. Bonds6

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

N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 78672312) has the molecular formula C12H13Cl2N5OS2 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID78672312
Molecular FormulaC12H13Cl2N5OS2
Molecular Weight378.31 g/mol
Exact Mass376.99
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCNc1nnc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)s1
InChIInChI=1S/C12H13Cl2N5OS2/c1-3-15-11-18-19-12(22-11)21-6(2)10(20)17-9-8(14)4-7(13)5-16-9/h4-6H,3H2,1-2H3,(H,15,18)(H,16,17,20)
InChIKeyGRRPVGKCSYROKC-UHFFFAOYSA-N
XLogP3.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

(2S)-N-(3,5-dichloro-2-pyridinyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797598
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 60543309
N-(3,5-dichloro-2-pyridinyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24584814
N-(3-chloro-2-methylphenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51236880
N-(5-chloro-2-methoxyphenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51236769
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide
CID 46626705
(2R)-N-(2,5-dichlorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8910854
(2S)-N-(3,5-dichloro-2-pyridinyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8987966
N-(3,5-dichlorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 42975441
2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 4583439
(2S)-N-(3,5-dichloro-2-pyridinyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2468518
N-(3-chloro-4-fluorophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 55421806

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 78672312) is N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CCNc1nnc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)s1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is GRRPVGKCSYROKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5OS2/c1-3-15-11-18-19-12(22-11)21-6(2)10(20)17-9-8(14)4-7(13)5-16-9/h4-6H,3H2,1-2H3,(H,15,18)(H,16,17,20).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 378.31 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 78672312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).