2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C17H21N3OS — CID 167897689

IUPAC2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC1(C)NCCC1C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3OS/c1-17(2)14(8-9-19-17)15(21)18-10-13-11-22-16(20-13)12-6-4-3-5-7-12/h3-7,11,14,19H,8-10H2,1-2H3,(H,18,21)
InChIKeyAJRBBAWWXZYUFD-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.81
Rot. Bonds4

About 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 167897689) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID167897689
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC1(C)NCCC1C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3OS/c1-17(2)14(8-9-19-17)15(21)18-10-13-11-22-16(20-13)12-6-4-3-5-7-12/h3-7,11,14,19H,8-10H2,1-2H3,(H,18,21)
InChIKeyAJRBBAWWXZYUFD-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 86960431
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
4-(methoxymethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 120622812
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120924759
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 167897689) is 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is CC1(C)NCCC1C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is AJRBBAWWXZYUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-17(2)14(8-9-19-17)15(21)18-10-13-11-22-16(20-13)12-6-4-3-5-7-12/h3-7,11,14,19H,8-10H2,1-2H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 167897689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).