1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea

C19H17ClFN5OS — CID 24876933

IUPAC1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1nc2c(s1)-c1nc(-c3cccc(F)c3Cl)ncc1CC2
InChIInChI=1S/C19H17ClFN5OS/c1-9(2)23-18(27)26-19-24-13-7-6-10-8-22-17(25-15(10)16(13)28-19)11-4-3-5-12(21)14(11)20/h3-5,8-9H,6-7H2,1-2H3,(H2,23,24,26,27)
InChIKeyUBQWQVPGLSGALD-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.69
Rot. Bonds3

About 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea

1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea (PubChem CID 24876933) has the molecular formula C19H17ClFN5OS and a molecular weight of 417.90 g/mol. Its IUPAC name is 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea
PubChem CID24876933
Molecular FormulaC19H17ClFN5OS
Molecular Weight417.90 g/mol
Exact Mass417.08
IUPAC Name1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1nc2c(s1)-c1nc(-c3cccc(F)c3Cl)ncc1CC2
InChIInChI=1S/C19H17ClFN5OS/c1-9(2)23-18(27)26-19-24-13-7-6-10-8-22-17(25-15(10)16(13)28-19)11-4-3-5-12(21)14(11)20/h3-5,8-9H,6-7H2,1-2H3,(H2,23,24,26,27)
InChIKeyUBQWQVPGLSGALD-UHFFFAOYSA-N
XLogP4.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)
CID 158936616
4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide
CID 158615706
N-[8-[2-chloro-5-(1-methylsulfonylpiperidin-4-yl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide
CID 89059781
8-(5-but-1-ynyl-2-chlorophenyl)-N-prop-1-en-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine
CID 163430651
2,6-difluoro-N-(3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl)benzamide;3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-amine
CID 157144493
1-[3-[[2-(1-methoxypropan-2-ylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]ethanone
CID 87365733
4-[1-(2,6-difluorophenyl)ethenylamino]-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-11-ol
CID 89278362
2,6-difluoro-N-(12-iodo-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)benzamide;2,6-difluoro-N-(3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl)benzamide
CID 161119929
1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530211
1-(2-fluorophenyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625544
1-propan-2-yl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 43593383
2-chloro-6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 7948491

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea (CID 24876933) is 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1nc2c(s1)-c1nc(-c3cccc(F)c3Cl)ncc1CC2.
What is the InChIKey of 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea?
The InChIKey is UBQWQVPGLSGALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5OS/c1-9(2)23-18(27)26-19-24-13-7-6-10-8-22-17(25-15(10)16(13)28-19)11-4-3-5-12(21)14(11)20/h3-5,8-9H,6-7H2,1-2H3,(H2,23,24,26,27).
What are the key properties of 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea?
1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea has a molecular weight of 417.90 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-chloro-3-fluorophenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 24876933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).