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

C11H19Cl2N3OS — CID 119533474

IUPAC4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1ncsc1C(=O)NCCC1CCNC1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-10(16-7-14-8)11(15)13-5-3-9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H
InChIKeyJGWAEJCPMVBXTO-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.02
Rot. Bonds4

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

4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119533474) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is 4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119533474
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1ncsc1C(=O)NCCC1CCNC1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-10(16-7-14-8)11(15)13-5-3-9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H
InChIKeyJGWAEJCPMVBXTO-UHFFFAOYSA-N
XLogP2.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
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
4-methyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119534158
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210340
3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119537568
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-methyl-N-(morpholin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 115323889
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63622674
3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119535146

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119533474) is 4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1ncsc1C(=O)NCCC1CCNC1.Cl.Cl.
What is the InChIKey of 4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is JGWAEJCPMVBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-8-10(16-7-14-8)11(15)13-5-3-9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H.
What are the key properties of 4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 2.02, 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-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119533474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).