N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C20H20N4OS — CID 59318113

IUPACN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(N3CCCC3)nc2)nc1-c1ccccc1
InChIInChI=1S/C20H20N4OS/c1-14-18(15-7-3-2-4-8-15)22-20(26-14)23-19(25)16-9-10-17(21-13-16)24-11-5-6-12-24/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,22,23,25)
InChIKeyLZVKBPVQKGICFX-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.37
Rot. Bonds4

About N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 59318113) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID59318113
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(N3CCCC3)nc2)nc1-c1ccccc1
InChIInChI=1S/C20H20N4OS/c1-14-18(15-7-3-2-4-8-15)22-20(26-14)23-19(25)16-9-10-17(21-13-16)24-11-5-6-12-24/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,22,23,25)
InChIKeyLZVKBPVQKGICFX-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl-[1-[5-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 86641503
6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 87508351
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
tert-butyl 4-[5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 59318081
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4228919
ethyl 4-phenyl-2-[[6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 59318106
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
trans-(1S,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753063
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 3649410
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 59318113) is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is Cc1sc(NC(=O)c2ccc(N3CCCC3)nc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is LZVKBPVQKGICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-14-18(15-7-3-2-4-8-15)22-20(26-14)23-19(25)16-9-10-17(21-13-16)24-11-5-6-12-24/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,22,23,25).
What are the key properties of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 59318113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).