2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

C16H21N3O2S — CID 119530777

IUPAC2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1nc(-c2ccco2)sc1C)C1CCNC1
InChIInChI=1S/C16H21N3O2S/c1-3-8-19(12-6-7-17-10-12)16(20)14-11(2)22-15(18-14)13-5-4-9-21-13/h4-5,9,12,17H,3,6-8,10H2,1-2H3
InChIKeyAFXOLVRZCZJVBV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.93
Rot. Bonds5

About 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 119530777) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID119530777
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1nc(-c2ccco2)sc1C)C1CCNC1
InChIInChI=1S/C16H21N3O2S/c1-3-8-19(12-6-7-17-10-12)16(20)14-11(2)22-15(18-14)13-5-4-9-21-13/h4-5,9,12,17H,3,6-8,10H2,1-2H3
InChIKeyAFXOLVRZCZJVBV-UHFFFAOYSA-N
XLogP2.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-2-(furan-2-yl)-N-(2-hydroxyethyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 102684339
6-(furan-2-yl)-2-methyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119823721
5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119532219
2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120555681
N-ethyl-N-(4-fluorophenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134022961
4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533114
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
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide
CID 102557927
2-(furan-2-yl)-5-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 37275507
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (CID 119530777) is 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is CCCN(C(=O)c1nc(-c2ccco2)sc1C)C1CCNC1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is AFXOLVRZCZJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-8-19(12-6-7-17-10-12)16(20)14-11(2)22-15(18-14)13-5-4-9-21-13/h4-5,9,12,17H,3,6-8,10H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119530777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).