6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone

C16H16F3N3O2S2 — CID 172891941

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone
SMILESO=C(C1CN(c2nc(C(F)(F)F)cs2)CCO1)N1CCc2sccc2C1
InChIInChI=1S/C16H16F3N3O2S2/c17-16(18,19)13-9-26-15(20-13)22-4-5-24-11(8-22)14(23)21-3-1-12-10(7-21)2-6-25-12/h2,6,9,11H,1,3-5,7-8H2
InChIKeyWXSQKXOKRWLROU-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.01
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone (PubChem CID 172891941) has the molecular formula C16H16F3N3O2S2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone
PubChem CID172891941
Molecular FormulaC16H16F3N3O2S2
Molecular Weight403.45 g/mol
Exact Mass403.06
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone
SMILESO=C(C1CN(c2nc(C(F)(F)F)cs2)CCO1)N1CCc2sccc2C1
InChIInChI=1S/C16H16F3N3O2S2/c17-16(18,19)13-9-26-15(20-13)22-4-5-24-11(8-22)14(23)21-3-1-12-10(7-21)2-6-25-12/h2,6,9,11H,1,3-5,7-8H2
InChIKeyWXSQKXOKRWLROU-UHFFFAOYSA-N
XLogP3.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 165434395
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanone
CID 172881963
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 172881275
tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
CID 172906467
pyrrolidin-1-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155799944
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanone
CID 171994650
6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 133383794
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 172899962
trans-(1R,2R)-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 167872607
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133365893
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423014

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone (CID 172891941) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone is O=C(C1CN(c2nc(C(F)(F)F)cs2)CCO1)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone?
The InChIKey is WXSQKXOKRWLROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S2/c17-16(18,19)13-9-26-15(20-13)22-4-5-24-11(8-22)14(23)21-3-1-12-10(7-21)2-6-25-12/h2,6,9,11H,1,3-5,7-8H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone has a molecular weight of 403.45 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]methanone is sourced from PubChem (CID 172891941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).