4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide

C18H23N5O5S2 — CID 166703248

IUPAC4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(S(N)(=O)=O)cc2)sc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C18H23N5O5S2/c1-12-15(17(25)20-6-7-23-8-10-28-11-9-23)29-18(21-12)22-16(24)13-2-4-14(5-3-13)30(19,26)27/h2-5H,6-11H2,1H3,(H,20,25)(H2,19,26,27)(H,21,22,24)
InChIKeyCRYGORHMXAQEKV-UHFFFAOYSA-N
MW453.55 g/mol
LogP0.41
Rot. Bonds7

About 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide

4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 166703248) has the molecular formula C18H23N5O5S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID166703248
Molecular FormulaC18H23N5O5S2
Molecular Weight453.55 g/mol
Exact Mass453.11
IUPAC Name4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(S(N)(=O)=O)cc2)sc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C18H23N5O5S2/c1-12-15(17(25)20-6-7-23-8-10-28-11-9-23)29-18(21-12)22-16(24)13-2-4-14(5-3-13)30(19,26)27/h2-5H,6-11H2,1H3,(H,20,25)(H2,19,26,27)(H,21,22,24)
InChIKeyCRYGORHMXAQEKV-UHFFFAOYSA-N
XLogP0.41
TPSA143.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387446
4-methyl-N-(2-morpholin-4-ylethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084285
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 26266832
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 36842250
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 22108828
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide (CID 166703248) is 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc(S(N)(=O)=O)cc2)sc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is CRYGORHMXAQEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5S2/c1-12-15(17(25)20-6-7-23-8-10-28-11-9-23)29-18(21-12)22-16(24)13-2-4-14(5-3-13)30(19,26)27/h2-5H,6-11H2,1H3,(H,20,25)(H2,19,26,27)(H,21,22,24).
What are the key properties of 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166703248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).