2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide

C18H21F2N3OS — CID 59337901

IUPAC2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2F)sc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C18H21F2N3OS/c1-12-16(17(24)21-7-10-23-8-3-2-4-9-23)25-18(22-12)14-6-5-13(19)11-15(14)20/h5-6,11H,2-4,7-10H2,1H3,(H,21,24)
InChIKeyHMUJXVWMOWITBB-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.61
Rot. Bonds5

About 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide

2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59337901) has the molecular formula C18H21F2N3OS and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID59337901
Molecular FormulaC18H21F2N3OS
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC Name2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2F)sc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C18H21F2N3OS/c1-12-16(17(24)21-7-10-23-8-3-2-4-9-23)25-18(22-12)14-6-5-13(19)11-15(14)20/h5-6,11H,2-4,7-10H2,1H3,(H,21,24)
InChIKeyHMUJXVWMOWITBB-UHFFFAOYSA-N
XLogP3.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-4-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 68629045
2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59337953
2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338509
(4-butyl-1,4-diazepan-1-yl)-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338425
4-methyl-2-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338114
2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
2-[3-(disulfanyl)phenyl]-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59337853
2-(4-chlorophenyl)-4-methyl-N-(4-pyrrolidin-1-ylbutyl)-1,3-thiazole-5-carboxamide
CID 39084197
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
4-methyl-N-(4-pyrrolidin-1-ylbutyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 59338656
(4-butyl-1,4-diazepan-1-yl)-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338765
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 59337901) is 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2F)sc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HMUJXVWMOWITBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OS/c1-12-16(17(24)21-7-10-23-8-3-2-4-9-23)25-18(22-12)14-6-5-13(19)11-15(14)20/h5-6,11H,2-4,7-10H2,1H3,(H,21,24).
What are the key properties of 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59337901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).