N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide

C14H13Cl2N3O2S — CID 177062025

IUPACN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide
SMILESO=C(Nc1csc(-c2ccc(Cl)c(Cl)c2)n1)C1CNCCO1
InChIInChI=1S/C14H13Cl2N3O2S/c15-9-2-1-8(5-10(9)16)14-19-12(7-22-14)18-13(20)11-6-17-3-4-21-11/h1-2,5,7,11,17H,3-4,6H2,(H,18,20)
InChIKeyJDQMVENRPWNSFG-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.04
Rot. Bonds3

About N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide

N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide (PubChem CID 177062025) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide
PubChem CID177062025
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC NameN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide
SMILESO=C(Nc1csc(-c2ccc(Cl)c(Cl)c2)n1)C1CNCCO1
InChIInChI=1S/C14H13Cl2N3O2S/c15-9-2-1-8(5-10(9)16)14-19-12(7-22-14)18-13(20)11-6-17-3-4-21-11/h1-2,5,7,11,17H,3-4,6H2,(H,18,20)
InChIKeyJDQMVENRPWNSFG-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloropyrimidin-4-yl)morpholine-2-carboxamide
CID 116795126
N-(1,2-oxazol-3-yl)morpholine-2-carboxamide
CID 62903772
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 177178454
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119676273
(2R)-N-(4-phenyl-2-pyridinyl)morpholine-2-carboxamide
CID 142318580
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119677147
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119687344
(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 167990270
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine
CID 177062188
N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119711589
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)morpholine-2-carboxamide
CID 65476082

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide (CID 177062025) is N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide is O=C(Nc1csc(-c2ccc(Cl)c(Cl)c2)n1)C1CNCCO1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide?
The InChIKey is JDQMVENRPWNSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c15-9-2-1-8(5-10(9)16)14-19-12(7-22-14)18-13(20)11-6-17-3-4-21-11/h1-2,5,7,11,17H,3-4,6H2,(H,18,20).
What are the key properties of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide?
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide has a molecular weight of 358.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 177062025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).