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

C12H21Cl2N3OS — CID 119555064

IUPAC4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1ncsc1C(=O)NCCC1CCCNC1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-9-11(17-8-15-9)12(16)14-6-4-10-3-2-5-13-7-10;;/h8,10,13H,2-7H2,1H3,(H,14,16);2*1H
InChIKeyLFUUOZACCLYLNS-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.41
Rot. Bonds4

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

4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119555064) has the molecular formula C12H21Cl2N3OS and a molecular weight of 326.29 g/mol. Its IUPAC name is 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119555064
Molecular FormulaC12H21Cl2N3OS
Molecular Weight326.29 g/mol
Exact Mass325.08
IUPAC Name4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1ncsc1C(=O)NCCC1CCCNC1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-9-11(17-8-15-9)12(16)14-6-4-10-3-2-5-13-7-10;;/h8,10,13H,2-7H2,1H3,(H,14,16);2*1H
InChIKeyLFUUOZACCLYLNS-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
5-methyl-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119558239
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
4-tert-butyl-N-(2-piperidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210288
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119555349
N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 119558095
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119555874
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119555064) is 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1ncsc1C(=O)NCCC1CCCNC1.Cl.Cl.
What is the InChIKey of 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is LFUUOZACCLYLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.2ClH/c1-9-11(17-8-15-9)12(16)14-6-4-10-3-2-5-13-7-10;;/h8,10,13H,2-7H2,1H3,(H,14,16);2*1H.
What are the key properties of 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 326.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119555064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).