N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

C15H19Cl2N3O2S — CID 119872092

IUPACN-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(OCc2cscn2)c1)C1CCCN1
InChIInChI=1S/C15H17N3O2S.2ClH/c19-15(14-5-2-6-16-14)18-11-3-1-4-13(7-11)20-8-12-9-21-10-17-12;;/h1,3-4,7,9-10,14,16H,2,5-6,8H2,(H,18,19);2*1H
InChIKeyCUOSCSYHHQNHLJ-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119872092) has the molecular formula C15H19Cl2N3O2S and a molecular weight of 376.31 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119872092
Molecular FormulaC15H19Cl2N3O2S
Molecular Weight376.31 g/mol
Exact Mass375.06
IUPAC NameN-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(OCc2cscn2)c1)C1CCCN1
InChIInChI=1S/C15H17N3O2S.2ClH/c19-15(14-5-2-6-16-14)18-11-3-1-4-13(7-11)20-8-12-9-21-10-17-12;;/h1,3-4,7,9-10,14,16H,2,5-6,8H2,(H,18,19);2*1H
InChIKeyCUOSCSYHHQNHLJ-UHFFFAOYSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846086
N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119032677
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119872092) is N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cccc(OCc2cscn2)c1)C1CCCN1.
What is the InChIKey of N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is CUOSCSYHHQNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.2ClH/c19-15(14-5-2-6-16-14)18-11-3-1-4-13(7-11)20-8-12-9-21-10-17-12;;/h1,3-4,7,9-10,14,16H,2,5-6,8H2,(H,18,19);2*1H.
What are the key properties of N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 376.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119872092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).