4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide

C10H13ClN4O3S — CID 83098826

IUPAC4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H13ClN4O3S/c1-2-12-7(16)6-5-18-4-3-15(6)9(17)8-13-14-10(11)19-8/h6H,2-5H2,1H3,(H,12,16)
InChIKeyAPQDWSLEGVRPGE-UHFFFAOYSA-N
MW304.76 g/mol
LogP0.17
Rot. Bonds3

About 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide

4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83098826) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83098826
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H13ClN4O3S/c1-2-12-7(16)6-5-18-4-3-15(6)9(17)8-13-14-10(11)19-8/h6H,2-5H2,1H3,(H,12,16)
InChIKeyAPQDWSLEGVRPGE-UHFFFAOYSA-N
XLogP0.17
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098612
(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 107856527
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 114918798
4-(2-chloro-5-sulfanylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107034008
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide
CID 107034016
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide (CID 83098826) is 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1nnc(Cl)s1.
What is the InChIKey of 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is APQDWSLEGVRPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S/c1-2-12-7(16)6-5-18-4-3-15(6)9(17)8-13-14-10(11)19-8/h6H,2-5H2,1H3,(H,12,16).
What are the key properties of 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide?
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83098826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).