2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline

C73H107N9OS2 — CID 160562502

About 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline

2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 160562502) has the molecular formula C73H107N9OS2 and a molecular weight of 1190.85 g/mol. Its IUPAC name is 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
• PubChem CID: 160562502
• Molecular Formula: C73H107N9OS2
• Molecular Weight: 1190.85 g/mol
• Exact Mass: 1189.80
• IUPAC Name: 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
• SMILES: CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cscn1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CCCC2.CC(C)c1cnc2c(c1)OCCC2
• InChI: InChI=1S/C12H17N.C12H16.C11H15NO.2C8H12N2.C8H12S.C7H12N2.C7H11NS/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-6-11-10(12-7-9)4-3-5-13-11;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6/h7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
• InChIKey: QZMQDAHSKZWVFO-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 128.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1190.85
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline?

The IUPAC name of 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 160562502) is 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline?

The canonical SMILES for 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cscn1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CCCC2.CC(C)c1cnc2c(c1)OCCC2.

What is the InChIKey of 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline?

The InChIKey is QZMQDAHSKZWVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C12H16.C11H15NO.2C8H12N2.C8H12S.C7H12N2.C7H11NS/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-6-11-10(12-7-9)4-3-5-13-11;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-9-5-8-6/h7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.

What are the key properties of 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline?

2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 1190.85 g/mol, XLogP of 19.65, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 160562502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).