N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide

C14H14ClN3O2S — CID 121150643

IUPACN-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C14H14ClN3O2S/c15-10-2-1-3-11(8-10)17-13(19)18-6-4-12(9-18)20-14-16-5-7-21-14/h1-3,5,7-8,12H,4,6,9H2,(H,17,19)
InChIKeyQEFCIJLMWDVDHX-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.48
Rot. Bonds3

About N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide

N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide (PubChem CID 121150643) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide
PubChem CID121150643
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C14H14ClN3O2S/c15-10-2-1-3-11(8-10)17-13(19)18-6-4-12(9-18)20-14-16-5-7-21-14/h1-3,5,7-8,12H,4,6,9H2,(H,17,19)
InChIKeyQEFCIJLMWDVDHX-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627669
3-(3-chlorophenoxy)-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-1-carboxamide
CID 71907660
(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617838
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150299
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
2,2-dimethyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150296
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
methyl 2-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzoate
CID 121150532
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide
CID 90617703
2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344890

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide (CID 121150643) is N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(Oc2nccs2)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide?
The InChIKey is QEFCIJLMWDVDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-10-2-1-3-11(8-10)17-13(19)18-6-4-12(9-18)20-14-16-5-7-21-14/h1-3,5,7-8,12H,4,6,9H2,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide?
N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide has a molecular weight of 323.81 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121150643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).