N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C15H20N2S — CID 114009766

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(Nc2ccc3c(c2)CCC3)=N1
InChIInChI=1S/C15H20N2S/c1-10(2)14-9-18-15(17-14)16-13-7-6-11-4-3-5-12(11)8-13/h6-8,10,14H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyZKFWVQBKSMNPRL-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.71
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114009766) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114009766
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(Nc2ccc3c(c2)CCC3)=N1
InChIInChI=1S/C15H20N2S/c1-10(2)14-9-18-15(17-14)16-13-7-6-11-4-3-5-12(11)8-13/h6-8,10,14H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyZKFWVQBKSMNPRL-UHFFFAOYSA-N
XLogP3.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114009766) is N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CSC(Nc2ccc3c(c2)CCC3)=N1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZKFWVQBKSMNPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10(2)14-9-18-15(17-14)16-13-7-6-11-4-3-5-12(11)8-13/h6-8,10,14H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114009766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).