N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide

C16H21N3OS — CID 58749674

IUPACN-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide
SMILESCC(=O)Nc1nc2cc3c(nc2s1)CCC(C(C)(C)C)C3
InChIInChI=1S/C16H21N3OS/c1-9(20)17-15-19-13-8-10-7-11(16(2,3)4)5-6-12(10)18-14(13)21-15/h8,11H,5-7H2,1-4H3,(H,17,19,20)
InChIKeyHDNSYZOLOXAQTC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.80
Rot. Bonds1

About N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide

N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide (PubChem CID 58749674) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide
PubChem CID58749674
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide
SMILESCC(=O)Nc1nc2cc3c(nc2s1)CCC(C(C)(C)C)C3
InChIInChI=1S/C16H21N3OS/c1-9(20)17-15-19-13-8-10-7-11(16(2,3)4)5-6-12(10)18-14(13)21-15/h8,11H,5-7H2,1-4H3,(H,17,19,20)
InChIKeyHDNSYZOLOXAQTC-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide?
The IUPAC name of N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide (CID 58749674) is N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide.
What is the SMILES notation for N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide?
The canonical SMILES for N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide is CC(=O)Nc1nc2cc3c(nc2s1)CCC(C(C)(C)C)C3.
What is the InChIKey of N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide?
The InChIKey is HDNSYZOLOXAQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-9(20)17-15-19-13-8-10-7-11(16(2,3)4)5-6-12(10)18-14(13)21-15/h8,11H,5-7H2,1-4H3,(H,17,19,20).
What are the key properties of N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide?
N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinolin-2-yl)acetamide is sourced from PubChem (CID 58749674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).