N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene

C14H18N2S — CID 163253844

IUPACN-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene
SMILESC=CNc1nc(C)c(C)s1.Cc1ccccc1
InChIInChI=1S/C7H10N2S.C7H8/c1-4-8-7-9-5(2)6(3)10-7;1-7-5-3-2-4-6-7/h4H,1H2,2-3H3,(H,8,9);2-6H,1H3
InChIKeyFBDJTGAZPRYIBF-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.31
Rot. Bonds2

About N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene

N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene (PubChem CID 163253844) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene.

Molecular Properties

Compound NameN-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene
PubChem CID163253844
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene
SMILESC=CNc1nc(C)c(C)s1.Cc1ccccc1
InChIInChI=1S/C7H10N2S.C7H8/c1-4-8-7-9-5(2)6(3)10-7;1-7-5-3-2-4-6-7/h4H,1H2,2-3H3,(H,8,9);2-6H,1H3
InChIKeyFBDJTGAZPRYIBF-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene?
The IUPAC name of N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene (CID 163253844) is N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene.
What is the SMILES notation for N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene?
The canonical SMILES for N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene is C=CNc1nc(C)c(C)s1.Cc1ccccc1.
What is the InChIKey of N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene?
The InChIKey is FBDJTGAZPRYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.C7H8/c1-4-8-7-9-5(2)6(3)10-7;1-7-5-3-2-4-6-7/h4H,1H2,2-3H3,(H,8,9);2-6H,1H3.
What are the key properties of N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene?
N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene has a molecular weight of 246.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4,5-dimethyl-1,3-thiazol-2-amine;toluene is sourced from PubChem (CID 163253844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).