2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride

C12H20ClN3OS — CID 119533138

IUPAC2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnc(C)s1)C1CCNC1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-3-6-15(10-4-5-13-7-10)12(16)11-8-14-9(2)17-11;/h8,10,13H,3-7H2,1-2H3;1H
InChIKeyKHOZNAWCGVTXEB-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.09
Rot. Bonds4

About 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride

2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119533138) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119533138
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnc(C)s1)C1CCNC1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-3-6-15(10-4-5-13-7-10)12(16)11-8-14-9(2)17-11;/h8,10,13H,3-7H2,1-2H3;1H
InChIKeyKHOZNAWCGVTXEB-UHFFFAOYSA-N
XLogP2.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119531891
N-cyclopropyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103828140
N-piperidin-3-yl-N-propylthiadiazole-5-carboxamide
CID 63638833
5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119532219
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533114
N-cyclohexyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 114031251
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 63300923
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride (CID 119533138) is 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride is CCCN(C(=O)c1cnc(C)s1)C1CCNC1.Cl.
What is the InChIKey of 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is KHOZNAWCGVTXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.ClH/c1-3-6-15(10-4-5-13-7-10)12(16)11-8-14-9(2)17-11;/h8,10,13H,3-7H2,1-2H3;1H.
What are the key properties of 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119533138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).