5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide

C15H19ClN4OS2 — CID 509942

IUPAC5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESO=C(CCCCCl)Nc1nnc(NCCSc2ccccc2)s1
InChIInChI=1S/C15H19ClN4OS2/c16-9-5-4-8-13(21)18-15-20-19-14(23-15)17-10-11-22-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,19)(H,18,20,21)
InChIKeyMBHZPNHFEODMIP-UHFFFAOYSA-N
MW370.93 g/mol
LogP4.09
Rot. Bonds10

About 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide

5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 509942) has the molecular formula C15H19ClN4OS2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID509942
Molecular FormulaC15H19ClN4OS2
Molecular Weight370.93 g/mol
Exact Mass370.07
IUPAC Name5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESO=C(CCCCCl)Nc1nnc(NCCSc2ccccc2)s1
InChIInChI=1S/C15H19ClN4OS2/c16-9-5-4-8-13(21)18-15-20-19-14(23-15)17-10-11-22-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,19)(H,18,20,21)
InChIKeyMBHZPNHFEODMIP-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-[[5-(2-phenylsulfanylethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid
CID 39187222
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
4-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100552715
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide
CID 8700238
4-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8697412
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2973288
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 82176268
N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 17204050
3-phenyl-N-[5-(2-phenylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42667066

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide (CID 509942) is 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide is O=C(CCCCCl)Nc1nnc(NCCSc2ccccc2)s1.
What is the InChIKey of 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is MBHZPNHFEODMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS2/c16-9-5-4-8-13(21)18-15-20-19-14(23-15)17-10-11-22-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,19)(H,18,20,21).
What are the key properties of 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide?
5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 370.93 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 509942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).