(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C16H19N5O2S2 — CID 7798366

IUPAC(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESC=CCNc1nnc(S[C@H](C(=O)NC(=O)NCC)c2ccccc2)s1
InChIInChI=1S/C16H19N5O2S2/c1-3-10-18-15-20-21-16(25-15)24-12(11-8-6-5-7-9-11)13(22)19-14(23)17-4-2/h3,5-9,12H,1,4,10H2,2H3,(H,18,20)(H2,17,19,22,23)/t12-/m0/s1
InChIKeyDDJVGZPZAGKZQH-LBPRGKRZSA-N
MW377.50 g/mol
LogP2.82
Rot. Bonds8

About (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7798366) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID7798366
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESC=CCNc1nnc(S[C@H](C(=O)NC(=O)NCC)c2ccccc2)s1
InChIInChI=1S/C16H19N5O2S2/c1-3-10-18-15-20-21-16(25-15)24-12(11-8-6-5-7-9-11)13(22)19-14(23)17-4-2/h3,5-9,12H,1,4,10H2,2H3,(H,18,20)(H2,17,19,22,23)/t12-/m0/s1
InChIKeyDDJVGZPZAGKZQH-LBPRGKRZSA-N
XLogP2.82
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
CID 7898093
(2S)-N-cyclopropyl-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8603173
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7797123
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7757047
N'-[(2R)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 8956974
1-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 47117509
N-[(2S)-4-phenylbutan-2-yl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7798185
(2R)-N-(methylcarbamoyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
CID 7474505
ethyl 2-[2-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8606311
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797841
(2S)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797762
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46677017

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 7798366) is (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is C=CCNc1nnc(S[C@H](C(=O)NC(=O)NCC)c2ccccc2)s1.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is DDJVGZPZAGKZQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-3-10-18-15-20-21-16(25-15)24-12(11-8-6-5-7-9-11)13(22)19-14(23)17-4-2/h3,5-9,12H,1,4,10H2,2H3,(H,18,20)(H2,17,19,22,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
(2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 377.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-phenyl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7798366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).