1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea

C18H22N4O3S2 — CID 90530843

IUPAC1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cc1C
InChIInChI=1S/C18H22N4O3S2/c1-11-3-4-13(9-12(11)2)19-17(23)21-18-20-15-7-8-22(10-16(15)26-18)27(24,25)14-5-6-14/h3-4,9,14H,5-8,10H2,1-2H3,(H2,19,20,21,23)
InChIKeyIFONKRHVFOJKFQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.25
Rot. Bonds4

About 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea

1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea (PubChem CID 90530843) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea
PubChem CID90530843
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cc1C
InChIInChI=1S/C18H22N4O3S2/c1-11-3-4-13(9-12(11)2)19-17(23)21-18-20-15-7-8-22(10-16(15)26-18)27(24,25)14-5-6-14/h3-4,9,14H,5-8,10H2,1-2H3,(H2,19,20,21,23)
InChIKeyIFONKRHVFOJKFQ-UHFFFAOYSA-N
XLogP3.25
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90530991
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide
CID 90530814
methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
CID 90529232
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)urea
CID 90532581
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71788210
1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90533144
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90530823
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide
CID 90530772
N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide
CID 90532340
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90530716
1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 71788268
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90530710

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea (CID 90530843) is 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cc1C.
What is the InChIKey of 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea?
The InChIKey is IFONKRHVFOJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-11-3-4-13(9-12(11)2)19-17(23)21-18-20-15-7-8-22(10-16(15)26-18)27(24,25)14-5-6-14/h3-4,9,14H,5-8,10H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea?
1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea has a molecular weight of 406.53 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 90530843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).