(2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C14H25N5O2S2 — CID 9374072

IUPAC(2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(NCCCN2CCOCC2)s1)C(=O)N(C)C
InChIInChI=1S/C14H25N5O2S2/c1-11(12(20)18(2)3)22-14-17-16-13(23-14)15-5-4-6-19-7-9-21-10-8-19/h11H,4-10H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyUAYVOKSEYIADRZ-NSHDSACASA-N
MW359.52 g/mol
LogP1.24
Rot. Bonds8

About (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 9374072) has the molecular formula C14H25N5O2S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID9374072
Molecular FormulaC14H25N5O2S2
Molecular Weight359.52 g/mol
Exact Mass359.14
IUPAC Name(2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(NCCCN2CCOCC2)s1)C(=O)N(C)C
InChIInChI=1S/C14H25N5O2S2/c1-11(12(20)18(2)3)22-14-17-16-13(23-14)15-5-4-6-19-7-9-21-10-8-19/h11H,4-10H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyUAYVOKSEYIADRZ-NSHDSACASA-N
XLogP1.24
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

2-Methoxy-N-[5-(2-oxo-2-piperidin-1-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 1470474
2-[[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2372699
N-[5-(2-Morpholin-4-yl-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-propionamide
CID 12004721
1-(Tert-butyl)-3-(5-((2-(2,6-dimethylmorpholino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)urea
CID 16823376
2-[[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 24979242
3-sulfanyl-N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methyl]propanamide
CID 177681152
N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 3224580
N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3224579
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 60588587
(2S)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95678776
(2R)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95678777
2-methoxy-N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3224578

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 9374072) is (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is C[C@H](Sc1nnc(NCCCN2CCOCC2)s1)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is UAYVOKSEYIADRZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N5O2S2/c1-11(12(20)18(2)3)22-14-17-16-13(23-14)15-5-4-6-19-7-9-21-10-8-19/h11H,4-10H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
(2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 359.52 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 9374072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).