N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

C17H21N5O2S — CID 509910

IUPACN-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1nnc(NCCN2CCOCC2)s1
InChIInChI=1S/C17H21N5O2S/c23-15(7-6-14-4-2-1-3-5-14)19-17-21-20-16(25-17)18-8-9-22-10-12-24-13-11-22/h1-7H,8-13H2,(H,18,20)(H,19,21,23)
InChIKeyHCSWUIJBZQRORY-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.93
Rot. Bonds7

About N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 509910) has the molecular formula C17H21N5O2S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID509910
Molecular FormulaC17H21N5O2S
Molecular Weight359.45 g/mol
Exact Mass359.14
IUPAC NameN-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1nnc(NCCN2CCOCC2)s1
InChIInChI=1S/C17H21N5O2S/c23-15(7-6-14-4-2-1-3-5-14)19-17-21-20-16(25-17)18-8-9-22-10-12-24-13-11-22/h1-7H,8-13H2,(H,18,20)(H,19,21,23)
InChIKeyHCSWUIJBZQRORY-UHFFFAOYSA-N
XLogP1.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 509844
3-phenyl-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 509950
(E)-3-(2-chlorophenyl)-N-[5-(2-pyrrolidin-1-ylethylamino)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 6478885
N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 1308273
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 510289
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 4032813
(Z)-N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 22300964
(E)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 744044
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 6163871

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide (CID 509910) is N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1nnc(NCCN2CCOCC2)s1.
What is the InChIKey of N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is HCSWUIJBZQRORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-15(7-6-14-4-2-1-3-5-14)19-17-21-20-16(25-17)18-8-9-22-10-12-24-13-11-22/h1-7H,8-13H2,(H,18,20)(H,19,21,23).
What are the key properties of N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?
N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 359.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 509910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).