N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C17H22N4OS — CID 53145729

IUPACN,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C17H22N4OS/c1-3-20(4-2)17(22)14-12-23-16(19-14)13-7-8-15(18-11-13)21-9-5-6-10-21/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyZDWGNKIBLXMCMQ-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.29
Rot. Bonds5

About N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145729) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145729
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C17H22N4OS/c1-3-20(4-2)17(22)14-12-23-16(19-14)13-7-8-15(18-11-13)21-9-5-6-10-21/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyZDWGNKIBLXMCMQ-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
N-cycloheptyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145639
N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145632
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145743
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 95095752
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145746
methyl 4-[[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 53145732
N-(4-chloro-2-methylphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145637
N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145624
morpholin-4-yl-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 53145852
N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145800
N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145885

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145729) is N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1.
What is the InChIKey of N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZDWGNKIBLXMCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-3-20(4-2)17(22)14-12-23-16(19-14)13-7-8-15(18-11-13)21-9-5-6-10-21/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).