2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide

C16H20ClIN4O2S — CID 171668009

IUPAC2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
SMILESCc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCN(C)C.I
InChIInChI=1S/C16H19ClN4O2S.HI/c1-10-13(15(23)18-8-9-21(2)3)24-16(19-10)20-14(22)11-6-4-5-7-12(11)17;/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,20,22);1H
InChIKeyINNDXNLBLREPGD-UHFFFAOYSA-N
MW494.79 g/mol
LogP3.27
Rot. Bonds6

About 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide

2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide (PubChem CID 171668009) has the molecular formula C16H20ClIN4O2S and a molecular weight of 494.79 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
PubChem CID171668009
Molecular FormulaC16H20ClIN4O2S
Molecular Weight494.79 g/mol
Exact Mass494.00
IUPAC Name2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
SMILESCc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCN(C)C.I
InChIInChI=1S/C16H19ClN4O2S.HI/c1-10-13(15(23)18-8-9-21(2)3)24-16(19-10)20-14(22)11-6-4-5-7-12(11)17;/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,20,22);1H
InChIKeyINNDXNLBLREPGD-UHFFFAOYSA-N
XLogP3.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
2-[3-(dimethylamino)propanoylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110442436
2-chloro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836464
N-(2-chlorophenyl)-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
CID 857290
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
N-benzyl-4-methyl-2-[(2-methylsulfinylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 143575811
N-(3-chlorophenyl)-2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468197
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
2-[(4-chlorobenzoyl)amino]-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468203
2-benzyl-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 35534310

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide (CID 171668009) is 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide is Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCN(C)C.I.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide?
The InChIKey is INNDXNLBLREPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S.HI/c1-10-13(15(23)18-8-9-21(2)3)24-16(19-10)20-14(22)11-6-4-5-7-12(11)17;/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,20,22);1H.
What are the key properties of 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide?
2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide has a molecular weight of 494.79 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide is sourced from PubChem (CID 171668009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).