N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C17H22N4OS — CID 166298535

IUPACN-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1csc(-c2ccncc2)n1)C1CCNCC1
InChIInChI=1S/C17H22N4OS/c1-2-11-21(14-5-9-19-10-6-14)17(22)15-12-23-16(20-15)13-3-7-18-8-4-13/h3-4,7-8,12,14,19H,2,5-6,9-11H2,1H3
InChIKeyMHDOCODWTDRSMB-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.81
Rot. Bonds5

About N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 166298535) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID166298535
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1csc(-c2ccncc2)n1)C1CCNCC1
InChIInChI=1S/C17H22N4OS/c1-2-11-21(14-5-9-19-10-6-14)17(22)15-12-23-16(20-15)13-3-7-18-8-4-13/h3-4,7-8,12,14,19H,2,5-6,9-11H2,1H3
InChIKeyMHDOCODWTDRSMB-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119824421
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119824275
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
N-propyl-2-pyrazin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530984
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
N-piperidin-4-yl-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119823978
N-ethyl-2-methyl-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 65198571
N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51230896
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224
6-oxo-N-piperidin-4-yl-N-propyl-1H-pyridazine-3-carboxamide
CID 103813157

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 166298535) is N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CCCN(C(=O)c1csc(-c2ccncc2)n1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MHDOCODWTDRSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-11-21(14-5-9-19-10-6-14)17(22)15-12-23-16(20-15)13-3-7-18-8-4-13/h3-4,7-8,12,14,19H,2,5-6,9-11H2,1H3.
What are the key properties of N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166298535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).