3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide

C14H23N3O3S — CID 42745627

IUPAC3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CSCN1C(=O)C1CC1
InChIInChI=1S/C14H23N3O3S/c18-13(15-3-4-16-5-7-20-8-6-16)12-9-21-10-17(12)14(19)11-1-2-11/h11-12H,1-10H2,(H,15,18)
InChIKeyXKBLDSNETYKRII-UHFFFAOYSA-N
MW313.42 g/mol
LogP-0.25
Rot. Bonds5

About 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745627) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745627
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CSCN1C(=O)C1CC1
InChIInChI=1S/C14H23N3O3S/c18-13(15-3-4-16-5-7-20-8-6-16)12-9-21-10-17(12)14(19)11-1-2-11/h11-12H,1-10H2,(H,15,18)
InChIKeyXKBLDSNETYKRII-UHFFFAOYSA-N
XLogP-0.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-8-acetyl-7,7-dimethyl-6-thia-3,8-diazabicyclo[3.2.1]octan-2-one
CID 12792378
4-(1,3-Thiazolidine-4-carbonyl)morpholine
CID 20074032
(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
CID 58677294
2-(Ethoxymethylamino)-4-methylsulfanyl-1-morpholin-4-ylbutan-1-one
CID 137397368
(2S)-2-amino-3-methyl-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]butan-1-one
CID 169318496
morpholin-4-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone
CID 169318501
(2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one
CID 169318584
(2S)-2-amino-3-methyl-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,7-diazaspiro[4.4]nonan-7-yl]butan-1-one
CID 169318641
morpholin-4-yl-[(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]methanone
CID 169318697
morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone
CID 169318771
Cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 3341011
3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4305390

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42745627) is 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CSCN1C(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XKBLDSNETYKRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c18-13(15-3-4-16-5-7-20-8-6-16)12-9-21-10-17(12)14(19)11-1-2-11/h11-12H,1-10H2,(H,15,18).
What are the key properties of 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 313.42 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).