1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea

C14H18N4O2S2 — CID 71982682

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea
SMILESCN(C)c1nc(CNC(=O)Nc2cccc(S(C)=O)c2)cs1
InChIInChI=1S/C14H18N4O2S2/c1-18(2)14-17-11(9-21-14)8-15-13(19)16-10-5-4-6-12(7-10)22(3)20/h4-7,9H,8H2,1-3H3,(H2,15,16,19)
InChIKeyCOHJEKQUTUQCIZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.27
Rot. Bonds5

About 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea (PubChem CID 71982682) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea
PubChem CID71982682
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea
SMILESCN(C)c1nc(CNC(=O)Nc2cccc(S(C)=O)c2)cs1
InChIInChI=1S/C14H18N4O2S2/c1-18(2)14-17-11(9-21-14)8-15-13(19)16-10-5-4-6-12(7-10)22(3)20/h4-7,9H,8H2,1-3H3,(H2,15,16,19)
InChIKeyCOHJEKQUTUQCIZ-UHFFFAOYSA-N
XLogP2.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)urea
CID 111426589
1-(3-aminophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 54962762
1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72889978
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(3-methylsulfinylphenyl)urea
CID 71982809
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
1-[3-[(S)-methylsulfinyl]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97214594
2-(3-methylsulfinylanilino)-2-oxoacetic acid
CID 21442505
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide
CID 154759022
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111603963
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
CID 71981655
1-[3-(1-methoxyethyl)phenyl]-3-[(4-methylsulfinylphenyl)methyl]urea
CID 71860771
1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 72897833

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea (CID 71982682) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea is CN(C)c1nc(CNC(=O)Nc2cccc(S(C)=O)c2)cs1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea?
The InChIKey is COHJEKQUTUQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-18(2)14-17-11(9-21-14)8-15-13(19)16-10-5-4-6-12(7-10)22(3)20/h4-7,9H,8H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea has a molecular weight of 338.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methylsulfinylphenyl)urea is sourced from PubChem (CID 71982682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).