N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

C22H21N3OS — CID 3553057

IUPACN-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)c1csc(C2CCNCC2)n1
InChIInChI=1S/C22H21N3OS/c26-21(19-13-27-22(24-19)14-9-11-23-12-10-14)25-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,13-14,20,23H,9-12H2,(H,25,26)
InChIKeyRYAVIULLFDFEGB-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.11
Rot. Bonds3

About N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 3553057) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID3553057
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC NameN-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)c1csc(C2CCNCC2)n1
InChIInChI=1S/C22H21N3OS/c26-21(19-13-27-22(24-19)14-9-11-23-12-10-14)25-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,13-14,20,23H,9-12H2,(H,25,26)
InChIKeyRYAVIULLFDFEGB-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3851641
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3715181
N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23798960
2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide
CID 3544141
fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
CID 156738991
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991
methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
CID 18969415
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 3553057) is N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is O=C(NC1c2ccccc2-c2ccccc21)c1csc(C2CCNCC2)n1.
What is the InChIKey of N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RYAVIULLFDFEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c26-21(19-13-27-22(24-19)14-9-11-23-12-10-14)25-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,13-14,20,23H,9-12H2,(H,25,26).
What are the key properties of N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3553057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).