1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea

C19H21N3O4S3 — CID 42633831

IUPAC1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
SMILESCCc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1-c1ccccc1
InChIInChI=1S/C19H21N3O4S3/c1-3-14-17(13-7-5-4-6-8-13)20-19(28-14)21-18(24)22-29(25,26)16-11-12(2)15(27-16)9-10-23/h4-8,11,23H,3,9-10H2,1-2H3,(H2,20,21,22,24)
InChIKeyZEAAAILZVVBFJB-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.79
Rot. Bonds7

About 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea

1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea (PubChem CID 42633831) has the molecular formula C19H21N3O4S3 and a molecular weight of 451.60 g/mol. Its IUPAC name is 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea.

Molecular Properties

Compound Name1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
PubChem CID42633831
Molecular FormulaC19H21N3O4S3
Molecular Weight451.60 g/mol
Exact Mass451.07
IUPAC Name1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
SMILESCCc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1-c1ccccc1
InChIInChI=1S/C19H21N3O4S3/c1-3-14-17(13-7-5-4-6-8-13)20-19(28-14)21-18(24)22-29(25,26)16-11-12(2)15(27-16)9-10-23/h4-8,11,23H,3,9-10H2,1-2H3,(H2,20,21,22,24)
InChIKeyZEAAAILZVVBFJB-UHFFFAOYSA-N
XLogP3.79
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea
CID 42633650
1-(4,5-diethyl-1,3-thiazol-2-yl)-3-(5-ethyl-4-methylthiophen-2-yl)sulfonylurea
CID 91001420
2-[3-methyl-5-[(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamoylsulfamoyl]thiophen-2-yl]ethyl acetate
CID 42634014
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
cis-(1S,2R)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7121338
2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 59634279
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
CID 4083899
(1R,2S,3R,4R)-3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98300704
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methyl-3,5-dinitrobenzamide
CID 4189184
2-[[5-ethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 21296125
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4284156
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
CID 67425132

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The IUPAC name of 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea (CID 42633831) is 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea.
What is the SMILES notation for 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The canonical SMILES for 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea is CCc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1-c1ccccc1.
What is the InChIKey of 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
The InChIKey is ZEAAAILZVVBFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S3/c1-3-14-17(13-7-5-4-6-8-13)20-19(28-14)21-18(24)22-29(25,26)16-11-12(2)15(27-16)9-10-23/h4-8,11,23H,3,9-10H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea?
1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea has a molecular weight of 451.60 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-[5-(2-hydroxyethyl)-4-methylthiophen-2-yl]sulfonylurea is sourced from PubChem (CID 42633831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).