1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

C35H43FN2OS — CID 157056298

IUPAC1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESC=C1c2scnc2C=CN1C(C)C.COc1cc2ccccc2cc1C(C)C.Cc1cc(C)c(C(C)C)cc1F
InChIInChI=1S/C14H16O.C11H15F.C10H12N2S/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)15-3;1-7(2)10-6-11(12)9(4)5-8(10)3;1-7(2)12-5-4-9-10(8(12)3)13-6-11-9/h4-10H,1-3H3;5-7H,1-4H3;4-7H,3H2,1-2H3
InChIKeyAAUJHWXLZXXAAC-UHFFFAOYSA-N
MW558.81 g/mol
LogP10.35
Rot. Bonds4

About 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 157056298) has the molecular formula C35H43FN2OS and a molecular weight of 558.81 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
PubChem CID157056298
Molecular FormulaC35H43FN2OS
Molecular Weight558.81 g/mol
Exact Mass558.31
IUPAC Name1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESC=C1c2scnc2C=CN1C(C)C.COc1cc2ccccc2cc1C(C)C.Cc1cc(C)c(C(C)C)cc1F
InChIInChI=1S/C14H16O.C11H15F.C10H12N2S/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)15-3;1-7(2)10-6-11(12)9(4)5-8(10)3;1-7(2)12-5-4-9-10(8(12)3)13-6-11-9/h4-10H,1-3H3;5-7H,1-4H3;4-7H,3H2,1-2H3
InChIKeyAAUJHWXLZXXAAC-UHFFFAOYSA-N
XLogP10.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.81
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;methane;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;7-methylidene-6-propan-2-ylthieno[2,3-c]pyridine;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-3-propan-2-ylnaphthalene
CID 159263346
3-(3-methoxynaphthalen-2-yl)-N,N-dimethyl-3-(5-methyl-1,3-dihydrotetrazol-2-yl)propan-1-amine
CID 143906361
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
1-[chloro-(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61084472
1-(2,6-dimethoxyphenyl)-2,4-dimethyl-5-propan-2-ylbenzene
CID 102444217
2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene
CID 81124184
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 133186578
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 133217410

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (CID 157056298) is 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is C=C1c2scnc2C=CN1C(C)C.COc1cc2ccccc2cc1C(C)C.Cc1cc(C)c(C(C)C)cc1F.
What is the InChIKey of 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is AAUJHWXLZXXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C11H15F.C10H12N2S/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)15-3;1-7(2)10-6-11(12)9(4)5-8(10)3;1-7(2)12-5-4-9-10(8(12)3)13-6-11-9/h4-10H,1-3H3;5-7H,1-4H3;4-7H,3H2,1-2H3.
What are the key properties of 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 558.81 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4-dimethyl-5-propan-2-ylbenzene;2-methoxy-3-propan-2-ylnaphthalene;4-methylidene-5-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 157056298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).