1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide

C22H24N6O4S2 — CID 4065247

IUPAC1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
SMILESCc1nc(NC(=O)c2ccccc2C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)sc1C(=O)N(C)C
InChIInChI=1S/C22H24N6O4S2/c1-11-15(19(31)27(3)4)33-21(23-11)25-17(29)13-9-7-8-10-14(13)18(30)26-22-24-12(2)16(34-22)20(32)28(5)6/h7-10H,1-6H3,(H,23,25,29)(H,24,26,30)
InChIKeySJGPUXYXPZTIIA-UHFFFAOYSA-N
MW500.61 g/mol
LogP3.12
Rot. Bonds6

About 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide

1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide (PubChem CID 4065247) has the molecular formula C22H24N6O4S2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
PubChem CID4065247
Molecular FormulaC22H24N6O4S2
Molecular Weight500.61 g/mol
Exact Mass500.13
IUPAC Name1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
SMILESCc1nc(NC(=O)c2ccccc2C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)sc1C(=O)N(C)C
InChIInChI=1S/C22H24N6O4S2/c1-11-15(19(31)27(3)4)33-21(23-11)25-17(29)13-9-7-8-10-14(13)18(30)26-22-24-12(2)16(34-22)20(32)28(5)6/h7-10H,1-6H3,(H,23,25,29)(H,24,26,30)
InChIKeySJGPUXYXPZTIIA-UHFFFAOYSA-N
XLogP3.12
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 156585779
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 145489196
2-[(5-chloro-2-nitrobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3257929
N,N,4-trimethyl-2-(pyrazine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 4088894
2-[(5-ethylthiophene-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 17250011
2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 171668009

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide (CID 4065247) is 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide is Cc1nc(NC(=O)c2ccccc2C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)sc1C(=O)N(C)C.
What is the InChIKey of 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide?
The InChIKey is SJGPUXYXPZTIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S2/c1-11-15(19(31)27(3)4)33-21(23-11)25-17(29)13-9-7-8-10-14(13)18(30)26-22-24-12(2)16(34-22)20(32)28(5)6/h7-10H,1-6H3,(H,23,25,29)(H,24,26,30).
What are the key properties of 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide?
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide has a molecular weight of 500.61 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 4065247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).