N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide

C13H11Cl2N3OS — CID 13192325

IUPACN-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC1=C(C(=O)Nc2cc(Cl)ccc2Cl)SC2=NCCN21
InChIInChI=1S/C13H11Cl2N3OS/c1-7-11(20-13-16-4-5-18(7)13)12(19)17-10-6-8(14)2-3-9(10)15/h2-3,6H,4-5H2,1H3,(H,17,19)
InChIKeyVGDLOPRGDRRJKF-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.58
Rot. Bonds2

About N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 13192325) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID13192325
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC NameN-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC1=C(C(=O)Nc2cc(Cl)ccc2Cl)SC2=NCCN21
InChIInChI=1S/C13H11Cl2N3OS/c1-7-11(20-13-16-4-5-18(7)13)12(19)17-10-6-8(14)2-3-9(10)15/h2-3,6H,4-5H2,1H3,(H,17,19)
InChIKeyVGDLOPRGDRRJKF-UHFFFAOYSA-N
XLogP3.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 13192325) is N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide is CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)SC2=NCCN21.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is VGDLOPRGDRRJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c1-7-11(20-13-16-4-5-18(7)13)12(19)17-10-6-8(14)2-3-9(10)15/h2-3,6H,4-5H2,1H3,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 328.22 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 13192325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).