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

C18H21Cl2N3OS — CID 59337953

IUPAC2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C18H21Cl2N3OS/c1-12-16(17(24)21-8-11-23-9-3-2-4-10-23)25-18(22-12)13-6-5-7-14(19)15(13)20/h5-7H,2-4,8-11H2,1H3,(H,21,24)
InChIKeyQFAPNIBTUPVSNK-UHFFFAOYSA-N
MW398.36 g/mol
LogP4.64
Rot. Bonds5

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

2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59337953) has the molecular formula C18H21Cl2N3OS and a molecular weight of 398.36 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID59337953
Molecular FormulaC18H21Cl2N3OS
Molecular Weight398.36 g/mol
Exact Mass397.08
IUPAC Name2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C18H21Cl2N3OS/c1-12-16(17(24)21-8-11-23-9-3-2-4-10-23)25-18(22-12)13-6-5-7-14(19)15(13)20/h5-7H,2-4,8-11H2,1H3,(H,21,24)
InChIKeyQFAPNIBTUPVSNK-UHFFFAOYSA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 59338739
2-(2,4-difluorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59337901
4-methyl-2-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338114
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-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338509
2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 49319130
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119445691
4-methyl-N-(4-pyrrolidin-1-ylbutyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 59338656

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 59337953) is 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QFAPNIBTUPVSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3OS/c1-12-16(17(24)21-8-11-23-9-3-2-4-10-23)25-18(22-12)13-6-5-7-14(19)15(13)20/h5-7H,2-4,8-11H2,1H3,(H,21,24).
What are the key properties of 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 398.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59337953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).