(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide

C14H14Cl2N4OS2 — CID 9120528

IUPAC(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
SMILESC[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N4OS2/c1-7(12(21)18-10-4-2-3-9(15)11(10)16)22-14-20-19-13(23-14)17-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H,17,19)(H,18,21)/t7-/m0/s1
InChIKeyRITAYWPIMUYFPV-ZETCQYMHSA-N
MW389.33 g/mol
LogP4.54
Rot. Bonds6

About (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide

(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide (PubChem CID 9120528) has the molecular formula C14H14Cl2N4OS2 and a molecular weight of 389.33 g/mol. Its IUPAC name is (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
PubChem CID9120528
Molecular FormulaC14H14Cl2N4OS2
Molecular Weight389.33 g/mol
Exact Mass388.00
IUPAC Name(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
SMILESC[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N4OS2/c1-7(12(21)18-10-4-2-3-9(15)11(10)16)22-14-20-19-13(23-14)17-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H,17,19)(H,18,21)/t7-/m0/s1
InChIKeyRITAYWPIMUYFPV-ZETCQYMHSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide with MolForge

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Related Compounds

(2R)-N-(2-chloro-3-pyridinyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972934
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 51190931
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 8674591
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 60543309
(2S)-N-(3-acetylphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8674513
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 8674662
N-(4-acetylphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51190893
N-(2-chloro-4-nitrophenyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 42963738
N-(3-chloro-2-methylphenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51236880
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46815098
4-[2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 43029008
(2R)-N-(3-chloro-2-methylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide (CID 9120528) is (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide is C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is RITAYWPIMUYFPV-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H14Cl2N4OS2/c1-7(12(21)18-10-4-2-3-9(15)11(10)16)22-14-20-19-13(23-14)17-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H,17,19)(H,18,21)/t7-/m0/s1.
What are the key properties of (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide?
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 389.33 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 9120528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).