N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

C17H18N2S — CID 43440113

IUPACN-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NC(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C17H18N2S/c1-13-12-20-17(18-13)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,18,19)
InChIKeyFILRMMMRKXINLY-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.86
Rot. Bonds3

About N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440113) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440113
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NC(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C17H18N2S/c1-13-12-20-17(18-13)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,18,19)
InChIKeyFILRMMMRKXINLY-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43440113) is N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(NC(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FILRMMMRKXINLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-13-12-20-17(18-13)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,18,19).
What are the key properties of N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).