N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide

C16H25N3OS — CID 3698377

IUPACN-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCCCC1)c1csc(C2CCCN2)n1
InChIInChI=1S/C16H25N3OS/c20-15(18-12-7-4-2-1-3-5-8-12)14-11-21-16(19-14)13-9-6-10-17-13/h11-13,17H,1-10H2,(H,18,20)
InChIKeyFYONMAHYCJNGGW-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.41
Rot. Bonds3

About N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide

N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 3698377) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID3698377
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCCCC1)c1csc(C2CCCN2)n1
InChIInChI=1S/C16H25N3OS/c20-15(18-12-7-4-2-1-3-5-8-12)14-11-21-16(19-14)13-9-6-10-17-13/h11-13,17H,1-10H2,(H,18,20)
InChIKeyFYONMAHYCJNGGW-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-[(2R)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 95846810
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3700307
N-[(2-aminophenyl)methyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3357908
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
2-pyrrolidin-2-yl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4254038
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
CID 138695861
2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 101261624
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide (CID 3698377) is N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide is O=C(NC1CCCCCCC1)c1csc(C2CCCN2)n1.
What is the InChIKey of N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FYONMAHYCJNGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c20-15(18-12-7-4-2-1-3-5-8-12)14-11-21-16(19-14)13-9-6-10-17-13/h11-13,17H,1-10H2,(H,18,20).
What are the key properties of N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide?
N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3698377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).