N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide

C23H33N3OS — CID 3976277

IUPACN-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C23H33N3OS/c1-2-3-4-5-6-7-8-11-22(27)24-20-14-12-19(13-15-20)21-18-28-23(25-21)26-16-9-10-17-26/h12-15,18H,2-11,16-17H2,1H3,(H,24,27)
InChIKeyMEAHXOMNTIEOFP-UHFFFAOYSA-N
MW399.60 g/mol
LogP6.49
Rot. Bonds11

About N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide

N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide (PubChem CID 3976277) has the molecular formula C23H33N3OS and a molecular weight of 399.60 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide
PubChem CID3976277
Molecular FormulaC23H33N3OS
Molecular Weight399.60 g/mol
Exact Mass399.23
IUPAC NameN-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C23H33N3OS/c1-2-3-4-5-6-7-8-11-22(27)24-20-14-12-19(13-15-20)21-18-28-23(25-21)26-16-9-10-17-26/h12-15,18H,2-11,16-17H2,1H3,(H,24,27)
InChIKeyMEAHXOMNTIEOFP-UHFFFAOYSA-N
XLogP6.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
CID 42663636
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7361956
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
2-(azepan-1-yl)-4-(4-methylphenyl)-1,3-thiazole;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]heptanamide
CID 142182949
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]adamantane-1-carboxamide
CID 5138188
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide?
The IUPAC name of N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide (CID 3976277) is N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide.
What is the SMILES notation for N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide?
The canonical SMILES for N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide is CCCCCCCCCC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1.
What is the InChIKey of N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide?
The InChIKey is MEAHXOMNTIEOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3OS/c1-2-3-4-5-6-7-8-11-22(27)24-20-14-12-19(13-15-20)21-18-28-23(25-21)26-16-9-10-17-26/h12-15,18H,2-11,16-17H2,1H3,(H,24,27).
What are the key properties of N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide?
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide has a molecular weight of 399.60 g/mol, XLogP of 6.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide is sourced from PubChem (CID 3976277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).