N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

C16H25N3O2S — CID 14881673

IUPACN-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCCCCOCCCNC(=O)C1CSC(c2cccnc2)N1
InChIInChI=1S/C16H25N3O2S/c1-2-3-9-21-10-5-8-18-15(20)14-12-22-16(19-14)13-6-4-7-17-11-13/h4,6-7,11,14,16,19H,2-3,5,8-10,12H2,1H3,(H,18,20)
InChIKeyRZRDSEMTHXYKDS-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.11
Rot. Bonds9

About N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 14881673) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID14881673
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESCCCCOCCCNC(=O)C1CSC(c2cccnc2)N1
InChIInChI=1S/C16H25N3O2S/c1-2-3-9-21-10-5-8-18-15(20)14-12-22-16(19-14)13-6-4-7-17-11-13/h4,6-7,11,14,16,19H,2-3,5,8-10,12H2,1H3,(H,18,20)
InChIKeyRZRDSEMTHXYKDS-UHFFFAOYSA-N
XLogP2.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 14881601
methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)amino]pentanoate
CID 14881578
N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
CID 74537316
N-(3-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881592
2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 19894077
(4R)-N-[5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pentyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67805523
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67902424
(3R)-6,6-dimethyl-5-oxo-N-(3-pyridin-3-yloxypropyl)thiomorpholine-3-carboxamide
CID 126442026
N-[3-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]propyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67805594
(4R)-N-(3-chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 10313907
(4R)-2-[4-[(2-chloroacetyl)amino]phenyl]-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 46232043
N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (CID 14881673) is N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is CCCCOCCCNC(=O)C1CSC(c2cccnc2)N1.
What is the InChIKey of N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is RZRDSEMTHXYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-3-9-21-10-5-8-18-15(20)14-12-22-16(19-14)13-6-4-7-17-11-13/h4,6-7,11,14,16,19H,2-3,5,8-10,12H2,1H3,(H,18,20).
What are the key properties of N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 14881673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).