4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C21H22N4OS — CID 47026987

IUPAC4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C21H22N4OS/c1-15-19(27-21(24-15)18-9-5-6-11-22-18)20(26)23-13-16-10-12-25(14-16)17-7-3-2-4-8-17/h2-9,11,16H,10,12-14H2,1H3,(H,23,26)
InChIKeyCMHXYAYRXRWCGV-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.77
Rot. Bonds5

About 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 47026987) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID47026987
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C21H22N4OS/c1-15-19(27-21(24-15)18-9-5-6-11-22-18)20(26)23-13-16-10-12-25(14-16)17-7-3-2-4-8-17/h2-9,11,16H,10,12-14H2,1H3,(H,23,26)
InChIKeyCMHXYAYRXRWCGV-UHFFFAOYSA-N
XLogP3.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 55652172
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 146710066
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 38442776
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55735230
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 47026987) is 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CMHXYAYRXRWCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-15-19(27-21(24-15)18-9-5-6-11-22-18)20(26)23-13-16-10-12-25(14-16)17-7-3-2-4-8-17/h2-9,11,16H,10,12-14H2,1H3,(H,23,26).
What are the key properties of 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47026987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).