N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

C17H23ClN4OS — CID 119032677

IUPACN-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cccc(NC(=O)C2CCCN2)c1)Cc1cscn1.Cl
InChIInChI=1S/C17H22N4OS.ClH/c1-21(10-15-11-23-12-19-15)9-13-4-2-5-14(8-13)20-17(22)16-6-3-7-18-16;/h2,4-5,8,11-12,16,18H,3,6-7,9-10H2,1H3,(H,20,22);1H
InChIKeyONAQRQDBHULQCW-UHFFFAOYSA-N
MW366.92 g/mol
LogP2.89
Rot. Bonds6

About N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119032677) has the molecular formula C17H23ClN4OS and a molecular weight of 366.92 g/mol. Its IUPAC name is N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119032677
Molecular FormulaC17H23ClN4OS
Molecular Weight366.92 g/mol
Exact Mass366.13
IUPAC NameN-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cccc(NC(=O)C2CCCN2)c1)Cc1cscn1.Cl
InChIInChI=1S/C17H22N4OS.ClH/c1-21(10-15-11-23-12-19-15)9-13-4-2-5-14(8-13)20-17(22)16-6-3-7-18-16;/h2,4-5,8,11-12,16,18H,3,6-7,9-10H2,1H3,(H,20,22);1H
InChIKeyONAQRQDBHULQCW-UHFFFAOYSA-N
XLogP2.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.92
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883845
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883865
8-chloro-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 155964076
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 154912466
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-4-phenylsulfanylbutanamide
CID 86934519

Frequently Asked Questions

What is the IUPAC name of N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119032677) is N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is CN(Cc1cccc(NC(=O)C2CCCN2)c1)Cc1cscn1.Cl.
What is the InChIKey of N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ONAQRQDBHULQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS.ClH/c1-21(10-15-11-23-12-19-15)9-13-4-2-5-14(8-13)20-17(22)16-6-3-7-18-16;/h2,4-5,8,11-12,16,18H,3,6-7,9-10H2,1H3,(H,20,22);1H.
What are the key properties of N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 366.92 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119032677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).