1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea

C16H12ClFN4OS — CID 56953296

IUPAC1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea
SMILESO=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)NC1CC1
InChIInChI=1S/C16H12ClFN4OS/c17-9-2-1-3-10(18)12(9)15-21-11-6-7-19-14(13(11)24-15)22-16(23)20-8-4-5-8/h1-3,6-8H,4-5H2,(H2,19,20,22,23)
InChIKeyRVEDWGQSRXHPDZ-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.43
Rot. Bonds3

About 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea

1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea (PubChem CID 56953296) has the molecular formula C16H12ClFN4OS and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea
PubChem CID56953296
Molecular FormulaC16H12ClFN4OS
Molecular Weight362.82 g/mol
Exact Mass362.04
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea
SMILESO=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)NC1CC1
InChIInChI=1S/C16H12ClFN4OS/c17-9-2-1-3-10(18)12(9)15-21-11-6-7-19-14(13(11)24-15)22-16(23)20-8-4-5-8/h1-3,6-8H,4-5H2,(H2,19,20,22,23)
InChIKeyRVEDWGQSRXHPDZ-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
1-(3-Chloro-4-fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138116
N-(2-(2,6-Dichlorophenyl)thiazolo[5,4-c]pyridin-4-yl)cyclopropanecarboxamide
CID 56953110
1-[(3-Chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405158
1-[(2-Chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405928
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 89421561
4-[(6-Aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile
CID 56952915
3-(3,5-Dichloro-4-pyridinyl)-1-[3-(diethylamino)propyl]-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea
CID 44530394
1-(3-Chlorophenyl)-3-[5-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
CID 164622311
1-[(4-Chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405750
N-(2-(2,6-Dichlorophenyl)thiazolo[5,4-c]pyridin-4-yl)-2-hydroxyacetamide
CID 56953392
4-(3-chloro-2-pyridinyl)-4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 57770430

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea (CID 56953296) is 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea is O=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)NC1CC1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea?
The InChIKey is RVEDWGQSRXHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4OS/c17-9-2-1-3-10(18)12(9)15-21-11-6-7-19-14(13(11)24-15)22-16(23)20-8-4-5-8/h1-3,6-8H,4-5H2,(H2,19,20,22,23).
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea?
1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea has a molecular weight of 362.82 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-cyclopropylurea is sourced from PubChem (CID 56953296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).