N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide

C15H17N3O2S — CID 60615827

IUPACN-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(OCc2cscn2)c1)N1CCCC1
InChIInChI=1S/C15H17N3O2S/c19-15(18-6-1-2-7-18)17-12-4-3-5-14(8-12)20-9-13-10-21-11-16-13/h3-5,8,10-11H,1-2,6-7,9H2,(H,17,19)
InChIKeyMXTJBUAVXRECCN-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.35
Rot. Bonds4

About N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide

N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 60615827) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID60615827
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(OCc2cscn2)c1)N1CCCC1
InChIInChI=1S/C15H17N3O2S/c19-15(18-6-1-2-7-18)17-12-4-3-5-14(8-12)20-9-13-10-21-11-16-13/h3-5,8,10-11H,1-2,6-7,9H2,(H,17,19)
InChIKeyMXTJBUAVXRECCN-UHFFFAOYSA-N
XLogP3.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56567793
4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56568213
4-[(4-methoxyphenyl)methyl]-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56568081
(6S)-6-methyl-1,1-dioxo-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,4-thiazepane-4-carboxamide
CID 129347329
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568082
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 166193918
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide
CID 99831736

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide (CID 60615827) is N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(OCc2cscn2)c1)N1CCCC1.
What is the InChIKey of N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is MXTJBUAVXRECCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(18-6-1-2-7-18)17-12-4-3-5-14(8-12)20-9-13-10-21-11-16-13/h3-5,8,10-11H,1-2,6-7,9H2,(H,17,19).
What are the key properties of N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide?
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60615827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).