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

C19H14ClN3OS — CID 40506297

IUPAC3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCc1csc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cn12
InChIInChI=1S/C19H14ClN3OS/c1-12-11-25-19-22-17(10-23(12)19)13-4-3-7-16(9-13)21-18(24)14-5-2-6-15(20)8-14/h2-11H,1H3,(H,21,24)
InChIKeyVRMMAMOGTMCILM-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.28
Rot. Bonds3

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

3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (PubChem CID 40506297) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
PubChem CID40506297
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCc1csc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cn12
InChIInChI=1S/C19H14ClN3OS/c1-12-11-25-19-22-17(10-23(12)19)13-4-3-7-16(9-13)21-18(24)14-5-2-6-15(20)8-14/h2-11H,1H3,(H,21,24)
InChIKeyVRMMAMOGTMCILM-UHFFFAOYSA-N
XLogP5.28
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
6-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
CID 7151276
5-chloro-2-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506291
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7151281
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propanamide
CID 7151265
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 40691824
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclopropanecarboxamide
CID 18562185
4-chloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506385
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pentanamide
CID 7151267
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 41427141
3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506377
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
CID 7151320

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (CID 40506297) is 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is Cc1csc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cn12.
What is the InChIKey of 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The InChIKey is VRMMAMOGTMCILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-12-11-25-19-22-17(10-23(12)19)13-4-3-7-16(9-13)21-18(24)14-5-2-6-15(20)8-14/h2-11H,1H3,(H,21,24).
What are the key properties of 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide has a molecular weight of 367.86 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 40506297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).