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

C10H12N2S — CID 7303198

IUPACN-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NCCS2)cc1
InChIInChI=1S/C10H12N2S/c1-8-2-4-9(5-3-8)12-10-11-6-7-13-10/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyZIBKTRFJHTUEKA-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.51
Rot. Bonds1

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

N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 7303198) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID7303198
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC NameN-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NCCS2)cc1
InChIInChI=1S/C10H12N2S/c1-8-2-4-9(5-3-8)12-10-11-6-7-13-10/h2-5H,6-7H2,1H3,(H,11,12)
InChIKeyZIBKTRFJHTUEKA-UHFFFAOYSA-N
XLogP2.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 7303198) is N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(NC2=NCCS2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZIBKTRFJHTUEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-8-2-4-9(5-3-8)12-10-11-6-7-13-10/h2-5H,6-7H2,1H3,(H,11,12).
What are the key properties of N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 192.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 7303198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).