4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine

C14H17N3S — CID 55173236

IUPAC4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine
SMILESCCc1csc(Nc2ccc3c(c2)CCCN3)n1
InChIInChI=1S/C14H17N3S/c1-2-11-9-18-14(16-11)17-12-5-6-13-10(8-12)4-3-7-15-13/h5-6,8-9,15H,2-4,7H2,1H3,(H,16,17)
InChIKeyKRRVXQUXBVNPMT-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.81
Rot. Bonds3

About 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine

4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine (PubChem CID 55173236) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine
PubChem CID55173236
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine
SMILESCCc1csc(Nc2ccc3c(c2)CCCN3)n1
InChIInChI=1S/C14H17N3S/c1-2-11-9-18-14(16-11)17-12-5-6-13-10(8-12)4-3-7-15-13/h5-6,8-9,15H,2-4,7H2,1H3,(H,16,17)
InChIKeyKRRVXQUXBVNPMT-UHFFFAOYSA-N
XLogP3.81
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine (CID 55173236) is 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine is CCc1csc(Nc2ccc3c(c2)CCCN3)n1.
What is the InChIKey of 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is KRRVXQUXBVNPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-11-9-18-14(16-11)17-12-5-6-13-10(8-12)4-3-7-15-13/h5-6,8-9,15H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine?
4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55173236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).