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

C16H22N2S — CID 61245801

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2ccc3c(c2)CCC3)=N1
InChIInChI=1S/C16H22N2S/c1-11(2)8-15-10-19-16(18-15)17-14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11,15H,3-5,8,10H2,1-2H3,(H,17,18)
InChIKeyIALMHXWYAXMESH-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.10
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61245801) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61245801
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2ccc3c(c2)CCC3)=N1
InChIInChI=1S/C16H22N2S/c1-11(2)8-15-10-19-16(18-15)17-14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11,15H,3-5,8,10H2,1-2H3,(H,17,18)
InChIKeyIALMHXWYAXMESH-UHFFFAOYSA-N
XLogP4.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009766
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439861
N-(3,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245942
N-(2,3-dihydro-1H-inden-5-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362713
N-(2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247555
N-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549228
N-(2-bromo-4-chlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 81274735
N-(1-cyclobutylpropan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 113489689
N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107614106
4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 113387451
N-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-amine
CID 106557683
4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261096

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61245801) is N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(Nc2ccc3c(c2)CCC3)=N1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IALMHXWYAXMESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)8-15-10-19-16(18-15)17-14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11,15H,3-5,8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.10, 3 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-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61245801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).