1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea

C19H29N5O4S2 — CID 18344657

IUPAC1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)N(CCN(C)C)c2nc(C)c(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C19H29N5O4S2/c1-7-28-16-10-8-15(9-11-16)21-18(25)24(13-12-22(3)4)19-20-14(2)17(29-19)30(26,27)23(5)6/h8-11H,7,12-13H2,1-6H3,(H,21,25)
InChIKeyVSXNCSGSAAJQTE-UHFFFAOYSA-N
MW455.61 g/mol
LogP2.70
Rot. Bonds9

About 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea

1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea (PubChem CID 18344657) has the molecular formula C19H29N5O4S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea
PubChem CID18344657
Molecular FormulaC19H29N5O4S2
Molecular Weight455.61 g/mol
Exact Mass455.17
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)N(CCN(C)C)c2nc(C)c(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C19H29N5O4S2/c1-7-28-16-10-8-15(9-11-16)21-18(25)24(13-12-22(3)4)19-20-14(2)17(29-19)30(26,27)23(5)6/h8-11H,7,12-13H2,1-6H3,(H,21,25)
InChIKeyVSXNCSGSAAJQTE-UHFFFAOYSA-N
XLogP2.70
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 18344757
3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344804
3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344825
1-[5-(benzylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-(2-phenylethyl)urea
CID 18344727
1-[2-(dimethylamino)ethyl]-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 18344654
1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea
CID 142015971
N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696380
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7525104
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44922899

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea (CID 18344657) is 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)N(CCN(C)C)c2nc(C)c(S(=O)(=O)N(C)C)s2)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea?
The InChIKey is VSXNCSGSAAJQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S2/c1-7-28-16-10-8-15(9-11-16)21-18(25)24(13-12-22(3)4)19-20-14(2)17(29-19)30(26,27)23(5)6/h8-11H,7,12-13H2,1-6H3,(H,21,25).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea?
1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea has a molecular weight of 455.61 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 18344657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).