N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C16H14F3N5O2S2 — CID 166109553

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCc1cnc(NC(=O)CN2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)s1
InChIInChI=1S/C16H14F3N5O2S2/c1-8-5-20-15(27-8)21-12(25)7-24-3-2-10-9(6-24)4-11(28-10)13-22-14(26-23-13)16(17,18)19/h4-5H,2-3,6-7H2,1H3,(H,20,21,25)
InChIKeyHNBRTXKNKKVXSQ-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.58
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 166109553) has the molecular formula C16H14F3N5O2S2 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID166109553
Molecular FormulaC16H14F3N5O2S2
Molecular Weight429.45 g/mol
Exact Mass429.05
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCc1cnc(NC(=O)CN2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)s1
InChIInChI=1S/C16H14F3N5O2S2/c1-8-5-20-15(27-8)21-12(25)7-24-3-2-10-9(6-24)4-11(28-10)13-22-14(26-23-13)16(17,18)19/h4-5H,2-3,6-7H2,1H3,(H,20,21,25)
InChIKeyHNBRTXKNKKVXSQ-UHFFFAOYSA-N
XLogP3.58
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 166109553) is N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is Cc1cnc(NC(=O)CN2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is HNBRTXKNKKVXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2S2/c1-8-5-20-15(27-8)21-12(25)7-24-3-2-10-9(6-24)4-11(28-10)13-22-14(26-23-13)16(17,18)19/h4-5H,2-3,6-7H2,1H3,(H,20,21,25).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 429.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 166109553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).