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

C11H13ClN4O3S — CID 83098612

IUPAC4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H13ClN4O3S/c12-11-15-14-9(20-11)10(18)16-3-4-19-5-7(16)8(17)13-6-1-2-6/h6-7H,1-5H2,(H,13,17)
InChIKeyYAEFYBFEYDDIPW-UHFFFAOYSA-N
MW316.77 g/mol
LogP0.31
Rot. Bonds3

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

4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83098612) has the molecular formula C11H13ClN4O3S and a molecular weight of 316.77 g/mol. Its IUPAC name is 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83098612
Molecular FormulaC11H13ClN4O3S
Molecular Weight316.77 g/mol
Exact Mass316.04
IUPAC Name4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H13ClN4O3S/c12-11-15-14-9(20-11)10(18)16-3-4-19-5-7(16)8(17)13-6-1-2-6/h6-7H,1-5H2,(H,13,17)
InChIKeyYAEFYBFEYDDIPW-UHFFFAOYSA-N
XLogP0.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83098826
(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 107856527
4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102689
N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
CID 83102563
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83097063
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 107519258
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
N-cyclopropyl-4-(6-fluoropyridine-3-carbonyl)morpholine-3-carboxamide
CID 83098403
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
4-(2-bromo-3-methylbutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106807
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide (CID 83098612) is 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1C(=O)c1nnc(Cl)s1.
What is the InChIKey of 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is YAEFYBFEYDDIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3S/c12-11-15-14-9(20-11)10(18)16-3-4-19-5-7(16)8(17)13-6-1-2-6/h6-7H,1-5H2,(H,13,17).
What are the key properties of 4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 316.77 g/mol, XLogP of 0.31, 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-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83098612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).