(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone

C15H12F2N2O2S — CID 155231624

IUPAC(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
SMILESCC[C@H](O)c1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1
InChIInChI=1S/C15H12F2N2O2S/c1-2-13(20)12-6-22-15(19-12)14(21)8-5-18-11-4-10(17)9(16)3-7(8)11/h3-6,13,18,20H,2H2,1H3/t13-/m0/s1
InChIKeyABVTYWQSMJQEAK-ZDUSSCGKSA-N
MW322.34 g/mol
LogP3.58
Rot. Bonds4

About (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone

(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone (PubChem CID 155231624) has the molecular formula C15H12F2N2O2S and a molecular weight of 322.34 g/mol. Its IUPAC name is (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
PubChem CID155231624
Molecular FormulaC15H12F2N2O2S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
SMILESCC[C@H](O)c1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1
InChIInChI=1S/C15H12F2N2O2S/c1-2-13(20)12-6-22-15(19-12)14(21)8-5-18-11-4-10(17)9(16)3-7(8)11/h3-6,13,18,20H,2H2,1H3/t13-/m0/s1
InChIKeyABVTYWQSMJQEAK-ZDUSSCGKSA-N
XLogP3.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane
CID 160579976
(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231597
(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231612
(5,6-difluoro-1H-indol-3-yl)-(4-propyl-1,3-thiazol-2-yl)methanone
CID 155713337
[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane
CID 161081199
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-(dimethylamino)butanoate
CID 155213732
2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione
CID 156529355
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone
CID 156529012
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;sulfane
CID 165052366
[5-fluoro-3-[4-[(1R)-1-hydroxypropyl]-1,3-thiazole-2-carbonyl]indol-1-yl]phosphonic acid
CID 156528839
(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 156529338
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The IUPAC name of (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone (CID 155231624) is (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone is CC[C@H](O)c1csc(C(=O)c2c[nH]c3cc(F)c(F)cc23)n1.
What is the InChIKey of (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
The InChIKey is ABVTYWQSMJQEAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H12F2N2O2S/c1-2-13(20)12-6-22-15(19-12)14(21)8-5-18-11-4-10(17)9(16)3-7(8)11/h3-6,13,18,20H,2H2,1H3/t13-/m0/s1.
What are the key properties of (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone?
(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone has a molecular weight of 322.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 155231624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).