N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

C17H21N3S — CID 168796205

IUPACN-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2s1
InChIInChI=1S/C17H21N3S/c1-5-8-13-19-14-15(21-13)11-9-6-7-10-12(11)18-16(14)20-17(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,18,20)
InChIKeyLQUGMQANGYJTRD-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.01
Rot. Bonds3

About N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 168796205) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID168796205
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2s1
InChIInChI=1S/C17H21N3S/c1-5-8-13-19-14-15(21-13)11-9-6-7-10-12(11)18-16(14)20-17(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,18,20)
InChIKeyLQUGMQANGYJTRD-UHFFFAOYSA-N
XLogP5.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline
CID 71551696
4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide
CID 71551048
N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
CID 71551050
N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanamide
CID 71551097
2,2,2-trichloro-N-(7-methyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)acetamide
CID 22648319
N'-[2-[4-(2,5-dioxopyrrol-1-yl)butanoyl-methylamino]ethyl]-N'-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)butanediamide
CID 59372572
N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide
CID 154702021
N-tert-butyl-4-chloro-3-phenylquinolin-2-amine
CID 72701186
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782920
N-tert-butyl-2-butyl-1-[[4-[(tridecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645006
2-(4-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)acetaldehyde
CID 59497158
2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)benzamide
CID 59007714

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 168796205) is N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCCc1nc2c(NC(C)(C)C)nc3ccccc3c2s1.
What is the InChIKey of N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is LQUGMQANGYJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-5-8-13-19-14-15(21-13)11-9-6-7-10-12(11)18-16(14)20-17(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 299.44 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 168796205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).