2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

C18H16ClN3OS — CID 21441141

IUPAC2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(C2CN3CCSC3=N2)c1)c1ccccc1Cl
InChIInChI=1S/C18H16ClN3OS/c19-15-7-2-1-6-14(15)17(23)20-13-5-3-4-12(10-13)16-11-22-8-9-24-18(22)21-16/h1-7,10,16H,8-9,11H2,(H,20,23)
InChIKeyCRJQLVCFAGUPGP-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.05
Rot. Bonds3

About 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (PubChem CID 21441141) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
PubChem CID21441141
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(C2CN3CCSC3=N2)c1)c1ccccc1Cl
InChIInChI=1S/C18H16ClN3OS/c19-15-7-2-1-6-14(15)17(23)20-13-5-3-4-12(10-13)16-11-22-8-9-24-18(22)21-16/h1-7,10,16H,8-9,11H2,(H,20,23)
InChIKeyCRJQLVCFAGUPGP-UHFFFAOYSA-N
XLogP4.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide
CID 13001782
3-nitro-N-[[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]carbamoyl]benzamide
CID 14913746
1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid
CID 122040449
2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127990
2-chloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125328
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide
CID 11998404
2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide
CID 17424844
2-chloro-N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127527
2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide
CID 26464004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (CID 21441141) is 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is O=C(Nc1cccc(C2CN3CCSC3=N2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The InChIKey is CRJQLVCFAGUPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-15-7-2-1-6-14(15)17(23)20-13-5-3-4-12(10-13)16-11-22-8-9-24-18(22)21-16/h1-7,10,16H,8-9,11H2,(H,20,23).
What are the key properties of 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide has a molecular weight of 357.87 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 21441141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).