N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine

C17H20N2S — CID 61335833

IUPACN-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCc1csc(C2(NC3CC3)CCCc3ccccc32)n1
InChIInChI=1S/C17H20N2S/c1-12-11-20-16(18-12)17(19-14-8-9-14)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,11,14,19H,4,6,8-10H2,1H3
InChIKeyKBINXEASTFKGDS-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.78
Rot. Bonds3

About N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine

N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 61335833) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID61335833
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCc1csc(C2(NC3CC3)CCCc3ccccc32)n1
InChIInChI=1S/C17H20N2S/c1-12-11-20-16(18-12)17(19-14-8-9-14)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,11,14,19H,4,6,8-10H2,1H3
InChIKeyKBINXEASTFKGDS-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine (CID 61335833) is N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine is Cc1csc(C2(NC3CC3)CCCc3ccccc32)n1.
What is the InChIKey of N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is KBINXEASTFKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-11-20-16(18-12)17(19-14-8-9-14)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7,11,14,19H,4,6,8-10H2,1H3.
What are the key properties of N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine?
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 284.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 61335833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).