(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C16H20N4OS — CID 70750518

IUPAC(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1CSCN1C
InChIInChI=1S/C16H20N4OS/c1-18(16(21)15-11-22-12-19(15)2)10-13-5-3-6-14(9-13)20-8-4-7-17-20/h3-9,15H,10-12H2,1-2H3/t15-/m0/s1
InChIKeyPBHFQCLDPGLDFG-HNNXBMFYSA-N
MW316.43 g/mol
LogP1.84
Rot. Bonds4

About (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 70750518) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID70750518
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1CSCN1C
InChIInChI=1S/C16H20N4OS/c1-18(16(21)15-11-22-12-19(15)2)10-13-5-3-6-14(9-13)20-8-4-7-17-20/h3-9,15H,10-12H2,1-2H3/t15-/m0/s1
InChIKeyPBHFQCLDPGLDFG-HNNXBMFYSA-N
XLogP1.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70750092
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 78084580
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
N,3,5-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90649991
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748
N,2-dimethyl-3-morpholin-4-yl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 91843383
N,5-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 70760252
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 126440496
N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
CID 70786181
3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 70711091

Frequently Asked Questions

What is the IUPAC name of (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 70750518) is (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1CSCN1C.
What is the InChIKey of (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PBHFQCLDPGLDFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-18(16(21)15-11-22-12-19(15)2)10-13-5-3-6-14(9-13)20-8-4-7-17-20/h3-9,15H,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 70750518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).