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

C15H17FN4O3S2 — CID 90531014

IUPAC1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)NCc3ccc(F)cc3)sc2C1
InChIInChI=1S/C15H17FN4O3S2/c1-25(22,23)20-7-6-12-13(9-20)24-15(18-12)19-14(21)17-8-10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H2,17,18,19,21)
InChIKeyNYPFENQOJWIPLF-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.92
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (PubChem CID 90531014) has the molecular formula C15H17FN4O3S2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
PubChem CID90531014
Molecular FormulaC15H17FN4O3S2
Molecular Weight384.46 g/mol
Exact Mass384.07
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)NCc3ccc(F)cc3)sc2C1
InChIInChI=1S/C15H17FN4O3S2/c1-25(22,23)20-7-6-12-13(9-20)24-15(18-12)19-14(21)17-8-10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H2,17,18,19,21)
InChIKeyNYPFENQOJWIPLF-UHFFFAOYSA-N
XLogP1.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 90532599
1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 71788268
1-(4-chlorophenyl)-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90530991
1-[(4-chlorophenyl)methyl]-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108899284
4-fluoro-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532715
2-chloro-6-fluoro-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 71788247
2-methylsulfanyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530958
1-[(4-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 20966617
N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 90530919
N-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525428
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4-ethylsulfonylphenyl)methyl]urea
CID 154751990
3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530911

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (CID 90531014) is 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is CS(=O)(=O)N1CCc2nc(NC(=O)NCc3ccc(F)cc3)sc2C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The InChIKey is NYPFENQOJWIPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S2/c1-25(22,23)20-7-6-12-13(9-20)24-15(18-12)19-14(21)17-8-10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea has a molecular weight of 384.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is sourced from PubChem (CID 90531014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).