N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

C21H19N5O3S — CID 43953558

IUPACN-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N(C)C)cc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12
InChIInChI=1S/C21H19N5O3S/c1-13-19(20(27)22-15-7-9-16(10-8-15)24(2)3)30-21-23-18(12-25(13)21)14-5-4-6-17(11-14)26(28)29/h4-12H,1-3H3,(H,22,27)
InChIKeyCIBACXSTZZCWJP-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.60
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 43953558) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID43953558
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC NameN-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N(C)C)cc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12
InChIInChI=1S/C21H19N5O3S/c1-13-19(20(27)22-15-7-9-16(10-8-15)24(2)3)30-21-23-18(12-25(13)21)14-5-4-6-17(11-14)26(28)29/h4-12H,1-3H3,(H,22,27)
InChIKeyCIBACXSTZZCWJP-UHFFFAOYSA-N
XLogP4.60
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 27461405
N-(4-ethoxyphenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348992
N-(3-chlorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 18565291
N-(4-butylphenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41349014
N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 18565292
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 7080141
3-methyl-6-(3-nitrophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 43953564
N-benzhydryl-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348991
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41349039
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 122262586
N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 155555398
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 43953558) is N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccc(N(C)C)cc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is CIBACXSTZZCWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-13-19(20(27)22-15-7-9-16(10-8-15)24(2)3)30-21-23-18(12-25(13)21)14-5-4-6-17(11-14)26(28)29/h4-12H,1-3H3,(H,22,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 43953558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).