N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H14N2S — CID 2737945

IUPACN-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(CNC2=NCCS2)cc1
InChIInChI=1S/C11H14N2S/c1-9-2-4-10(5-3-9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeySENJFYMMZYUKHS-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.19
Rot. Bonds2

About N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2737945) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2737945
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(CNC2=NCCS2)cc1
InChIInChI=1S/C11H14N2S/c1-9-2-4-10(5-3-9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeySENJFYMMZYUKHS-UHFFFAOYSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 2737945) is N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(CNC2=NCCS2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SENJFYMMZYUKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9-2-4-10(5-3-9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13).
What are the key properties of N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2737945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).