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

C16H22ClN5OS — CID 119533114

IUPAC4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1sc(-c2ncccn2)nc1C)C1CCNC1.Cl
InChIInChI=1S/C16H21N5OS.ClH/c1-3-9-21(12-5-8-17-10-12)16(22)13-11(2)20-15(23-13)14-18-6-4-7-19-14;/h4,6-7,12,17H,3,5,8-10H2,1-2H3;1H
InChIKeyRSAARHIHDWVSSP-UHFFFAOYSA-N
MW367.91 g/mol
LogP2.54
Rot. Bonds5

About 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride

4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119533114) has the molecular formula C16H22ClN5OS and a molecular weight of 367.91 g/mol. Its IUPAC name is 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119533114
Molecular FormulaC16H22ClN5OS
Molecular Weight367.91 g/mol
Exact Mass367.12
IUPAC Name4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1sc(-c2ncccn2)nc1C)C1CCNC1.Cl
InChIInChI=1S/C16H21N5OS.ClH/c1-3-9-21(12-5-8-17-10-12)16(22)13-11(2)20-15(23-13)14-18-6-4-7-19-14;/h4,6-7,12,17H,3,5,8-10H2,1-2H3;1H
InChIKeyRSAARHIHDWVSSP-UHFFFAOYSA-N
XLogP2.54
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.91
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532106
2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119530004
2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532088
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
4-methyl-N-piperidin-4-yl-N,2-dipropyl-1,3-thiazole-5-carboxamide
CID 119824556
2,4-dimethyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119532322
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
CID 124574512
N-propyl-2-pyrazin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530984
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride (CID 119533114) is 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride is CCCN(C(=O)c1sc(-c2ncccn2)nc1C)C1CCNC1.Cl.
What is the InChIKey of 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is RSAARHIHDWVSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS.ClH/c1-3-9-21(12-5-8-17-10-12)16(22)13-11(2)20-15(23-13)14-18-6-4-7-19-14;/h4,6-7,12,17H,3,5,8-10H2,1-2H3;1H.
What are the key properties of 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride?
4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 367.91 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119533114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).