2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole

C15H21N3OS — CID 56812122

IUPAC2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
SMILESCC1c2ccsc2CCN1Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C15H21N3OS/c1-10-11-6-8-20-12(11)5-7-18(10)9-13-16-17-14(19-13)15(2,3)4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyXCGORGGFUVGDEL-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.55
Rot. Bonds2

About 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole

2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole (PubChem CID 56812122) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
PubChem CID56812122
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
SMILESCC1c2ccsc2CCN1Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C15H21N3OS/c1-10-11-6-8-20-12(11)5-7-18(10)9-13-16-17-14(19-13)15(2,3)4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyXCGORGGFUVGDEL-UHFFFAOYSA-N
XLogP3.55
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18088979
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
2,2-dimethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanenitrile
CID 65251827
2-cyclopropyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-amine
CID 55009206
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-2-amine
CID 55008664
2-methyl-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-2-ol
CID 114495544
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazol-2-amine
CID 55010993
[6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-2-pyridinyl]methanamine
CID 106906070
4-methyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 18088978
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pyridin-2-amine
CID 79243185
5-benzyl-3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole-2-thione
CID 9321348

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole (CID 56812122) is 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole is CC1c2ccsc2CCN1Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is XCGORGGFUVGDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-11-6-8-20-12(11)5-7-18(10)9-13-16-17-14(19-13)15(2,3)4/h6,8,10H,5,7,9H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 291.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56812122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).