1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea

C10H10ClN5O4S2 — CID 13228698

IUPAC1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
SMILESCOc1cc(C)nc(NC(=O)NS(=O)(=O)c2scnc2Cl)n1
InChIInChI=1S/C10H10ClN5O4S2/c1-5-3-6(20-2)14-9(13-5)15-10(17)16-22(18,19)8-7(11)12-4-21-8/h3-4H,1-2H3,(H2,13,14,15,16,17)
InChIKeyUACYKVXETRKOAN-UHFFFAOYSA-N
MW363.81 g/mol
LogP1.41
Rot. Bonds4

About 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea

1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea (PubChem CID 13228698) has the molecular formula C10H10ClN5O4S2 and a molecular weight of 363.81 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
PubChem CID13228698
Molecular FormulaC10H10ClN5O4S2
Molecular Weight363.81 g/mol
Exact Mass362.99
IUPAC Name1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
SMILESCOc1cc(C)nc(NC(=O)NS(=O)(=O)c2scnc2Cl)n1
InChIInChI=1S/C10H10ClN5O4S2/c1-5-3-6(20-2)14-9(13-5)15-10(17)16-22(18,19)8-7(11)12-4-21-8/h3-4H,1-2H3,(H2,13,14,15,16,17)
InChIKeyUACYKVXETRKOAN-UHFFFAOYSA-N
XLogP1.41
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
1-(3-chloro-1,4-dimethylpyrazol-5-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 91269857
methyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364392
1-[2-(dichloromethyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13364616
ethyl 2-[3-chloro-5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1H-pyrazol-4-yl]acetate
CID 67865257
methyl 3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-4-propan-2-ylthiophene-2-carboxylate
CID 142637863
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(1-methyl-4-prop-1-enylpyrazol-5-yl)sulfonylurea
CID 54526151
ethyl 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 13364395
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-prop-2-ynoxyphenyl)sulfonylurea
CID 13472956
1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 19377379
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2H-thiochromen-8-ylsulfonyl)urea
CID 70449885

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The IUPAC name of 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea (CID 13228698) is 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The canonical SMILES for 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea is COc1cc(C)nc(NC(=O)NS(=O)(=O)c2scnc2Cl)n1.
What is the InChIKey of 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The InChIKey is UACYKVXETRKOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O4S2/c1-5-3-6(20-2)14-9(13-5)15-10(17)16-22(18,19)8-7(11)12-4-21-8/h3-4H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea has a molecular weight of 363.81 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1,3-thiazol-5-yl)sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea is sourced from PubChem (CID 13228698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).