(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H20FN3OS — CID 110114269

IUPAC(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCn1c(C(=O)N2CCC(C)(c3nccs3)CC2)cc2cc(F)ccc21
InChIInChI=1S/C19H20FN3OS/c1-19(18-21-7-10-25-18)5-8-23(9-6-19)17(24)16-12-13-11-14(20)3-4-15(13)22(16)2/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyBRVSQSUUJJMACN-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.97
Rot. Bonds2

About (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110114269) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110114269
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCn1c(C(=O)N2CCC(C)(c3nccs3)CC2)cc2cc(F)ccc21
InChIInChI=1S/C19H20FN3OS/c1-19(18-21-7-10-25-18)5-8-23(9-6-19)17(24)16-12-13-11-14(20)3-4-15(13)22(16)2/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyBRVSQSUUJJMACN-UHFFFAOYSA-N
XLogP3.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114223
(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 124961212
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114185
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209
(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138380566
(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 118786071
1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70762197
1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086615

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110114269) is (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cn1c(C(=O)N2CCC(C)(c3nccs3)CC2)cc2cc(F)ccc21.
What is the InChIKey of (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BRVSQSUUJJMACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-19(18-21-7-10-25-18)5-8-23(9-6-19)17(24)16-12-13-11-14(20)3-4-15(13)22(16)2/h3-4,7,10-12H,5-6,8-9H2,1-2H3.
What are the key properties of (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110114269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).