(2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol

C16H24N4OS2 — CID 41299395

IUPAC(2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCCN(CC)C[C@H](O)CSc1nnc(Nc2ccccc2C)s1
InChIInChI=1S/C16H24N4OS2/c1-4-20(5-2)10-13(21)11-22-16-19-18-15(23-16)17-14-9-7-6-8-12(14)3/h6-9,13,21H,4-5,10-11H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyWBCIDFNSOHBPCQ-ZDUSSCGKSA-N
MW352.53 g/mol
LogP3.38
Rot. Bonds9

About (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol

(2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (PubChem CID 41299395) has the molecular formula C16H24N4OS2 and a molecular weight of 352.53 g/mol. Its IUPAC name is (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
PubChem CID41299395
Molecular FormulaC16H24N4OS2
Molecular Weight352.53 g/mol
Exact Mass352.14
IUPAC Name(2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCCN(CC)C[C@H](O)CSc1nnc(Nc2ccccc2C)s1
InChIInChI=1S/C16H24N4OS2/c1-4-20(5-2)10-13(21)11-22-16-19-18-15(23-16)17-14-9-7-6-8-12(14)3/h6-9,13,21H,4-5,10-11H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyWBCIDFNSOHBPCQ-ZDUSSCGKSA-N
XLogP3.38
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 41299397
1-[(4-chlorophenyl)methoxy]-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 18207905
3,3-dimethyl-1-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 2340804
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2585654
5-[(4-chlorophenyl)methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 7754026
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2585897
3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentane-2,4-dione
CID 3511764
(2S)-N-ethyl-2-[[2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]propanamide
CID 9483630
N-(2,6-diethylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4798975
1-(azocan-1-yl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 9483610
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 4809791
1-(4-butylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7754059

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The IUPAC name of (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (CID 41299395) is (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.
What is the SMILES notation for (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The canonical SMILES for (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is CCN(CC)C[C@H](O)CSc1nnc(Nc2ccccc2C)s1.
What is the InChIKey of (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The InChIKey is WBCIDFNSOHBPCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4OS2/c1-4-20(5-2)10-13(21)11-22-16-19-18-15(23-16)17-14-9-7-6-8-12(14)3/h6-9,13,21H,4-5,10-11H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
(2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol has a molecular weight of 352.53 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is sourced from PubChem (CID 41299395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).