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

C20H16ClN3OS — CID 42624174

IUPAC4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide
SMILESCc1cn2cc(-c3cccc(CNC(=O)c4ccc(Cl)cc4)c3)nc2s1
InChIInChI=1S/C20H16ClN3OS/c1-13-11-24-12-18(23-20(24)26-13)16-4-2-3-14(9-16)10-22-19(25)15-5-7-17(21)8-6-15/h2-9,11-12H,10H2,1H3,(H,22,25)
InChIKeyPVLCBMMMQIMMAM-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.95
Rot. Bonds4

About 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide

4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide (PubChem CID 42624174) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide
PubChem CID42624174
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide
SMILESCc1cn2cc(-c3cccc(CNC(=O)c4ccc(Cl)cc4)c3)nc2s1
InChIInChI=1S/C20H16ClN3OS/c1-13-11-24-12-18(23-20(24)26-13)16-4-2-3-14(9-16)10-22-19(25)15-5-7-17(21)8-6-15/h2-9,11-12H,10H2,1H3,(H,22,25)
InChIKeyPVLCBMMMQIMMAM-UHFFFAOYSA-N
XLogP4.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide (CID 42624174) is 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide is Cc1cn2cc(-c3cccc(CNC(=O)c4ccc(Cl)cc4)c3)nc2s1.
What is the InChIKey of 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide?
The InChIKey is PVLCBMMMQIMMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-13-11-24-12-18(23-20(24)26-13)16-4-2-3-14(9-16)10-22-19(25)15-5-7-17(21)8-6-15/h2-9,11-12H,10H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide?
4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide has a molecular weight of 381.89 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 42624174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).