N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide

C18H19N3OS — CID 13001782

IUPACN-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide
SMILESO=C(Nc1cccc(C2CN3CCSC3=N2)c1)C1=CCC=CC1
InChIInChI=1S/C18H19N3OS/c22-17(13-5-2-1-3-6-13)19-15-8-4-7-14(11-15)16-12-21-9-10-23-18(21)20-16/h1-2,4,6-8,11,16H,3,5,9-10,12H2,(H,19,22)
InChIKeySDTSCHSDQOQCKU-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.36
Rot. Bonds3

About N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide

N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide (PubChem CID 13001782) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide
PubChem CID13001782
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide
SMILESO=C(Nc1cccc(C2CN3CCSC3=N2)c1)C1=CCC=CC1
InChIInChI=1S/C18H19N3OS/c22-17(13-5-2-1-3-6-13)19-15-8-4-7-14(11-15)16-12-21-9-10-23-18(21)20-16/h1-2,4,6-8,11,16H,3,5,9-10,12H2,(H,19,22)
InChIKeySDTSCHSDQOQCKU-UHFFFAOYSA-N
XLogP3.36
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 21441141
3-nitro-N-[[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]carbamoyl]benzamide
CID 14913746
(6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 159351486
N-[3-(1,3-dithian-2-yl)phenyl]furan-3-carboxamide
CID 27022341
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylbenzamide
CID 27889252
8-methyl-6-[3-[(3-methylphenyl)carbamoylamino]phenyl]-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 5205543
propan-2-yl (6S)-6-[3-(dimethylcarbamoylamino)phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 7252115
N-[3-(1,3-dithian-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 27842518
ethyl 8-methyl-6-[3-(naphthalene-2-carbonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 4111968
6-[3-[(4-chlorobenzoyl)amino]phenyl]-N,8-dimethyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 42768290
methyl (6R)-8-ethyl-6-[3-[(2-methoxybenzoyl)amino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 92518369
4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 60601174

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide?
The IUPAC name of N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide (CID 13001782) is N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide.
What is the SMILES notation for N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide?
The canonical SMILES for N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide is O=C(Nc1cccc(C2CN3CCSC3=N2)c1)C1=CCC=CC1.
What is the InChIKey of N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide?
The InChIKey is SDTSCHSDQOQCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-17(13-5-2-1-3-6-13)19-15-8-4-7-14(11-15)16-12-21-9-10-23-18(21)20-16/h1-2,4,6-8,11,16H,3,5,9-10,12H2,(H,19,22).
What are the key properties of N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide?
N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide is sourced from PubChem (CID 13001782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).