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

C16H20N2S — CID 62064832

IUPAC5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N2S/c1-10(2)15-14(19-16(17)18-15)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10H,3-5,9H2,1-2H3,(H2,17,18)
InChIKeyVXUITZCGJZZVTM-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.93
Rot. Bonds3

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

5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62064832) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62064832
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N2S/c1-10(2)15-14(19-16(17)18-15)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10H,3-5,9H2,1-2H3,(H2,17,18)
InChIKeyVXUITZCGJZZVTM-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 62064832) is 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1Cc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is VXUITZCGJZZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-10(2)15-14(19-16(17)18-15)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,10H,3-5,9H2,1-2H3,(H2,17,18).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine?
5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 272.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62064832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).