Fatostatin

C18H18N2S — CID 1889993

IUPAC4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C
InChIInChI=1S/C18H18N2S/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3
InChIKeyZROSUBKIGBSZCG-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.80
Rot. Bonds4

About Fatostatin

Fatostatin (PubChem CID 1889993) has the molecular formula C18H18N2S and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound NameFatostatin
PubChem CID1889993
Molecular FormulaC18H18N2S
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C
InChIInChI=1S/C18H18N2S/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3
InChIKeyZROSUBKIGBSZCG-UHFFFAOYSA-N
XLogP4.80
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity314

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Foropafant
CID 119368
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
CID 16662948
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448

Frequently Asked Questions

What is the IUPAC name of Fatostatin?
The IUPAC name of Fatostatin (CID 1889993) is 4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for Fatostatin?
The canonical SMILES for Fatostatin is CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C.
What is the InChIKey of Fatostatin?
The InChIKey is ZROSUBKIGBSZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14/h5-12H,3-4H2,1-2H3.
What are the key properties of Fatostatin?
Fatostatin has a molecular weight of 294.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Fatostatin is sourced from PubChem (CID 1889993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).