N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine

C13H15ClN2S — CID 2807278

IUPACN-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine
SMILESC=C1SC(Nc2cccc(Cl)c2C)=NC1(C)C
InChIInChI=1S/C13H15ClN2S/c1-8-10(14)6-5-7-11(8)15-12-16-13(3,4)9(2)17-12/h5-7H,2H2,1,3-4H3,(H,15,16)
InChIKeyXOOFHIVOROOIDB-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.46
Rot. Bonds1

About N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine

N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine (PubChem CID 2807278) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine
PubChem CID2807278
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine
SMILESC=C1SC(Nc2cccc(Cl)c2C)=NC1(C)C
InChIInChI=1S/C13H15ClN2S/c1-8-10(14)6-5-7-11(8)15-12-16-13(3,4)9(2)17-12/h5-7H,2H2,1,3-4H3,(H,15,16)
InChIKeyXOOFHIVOROOIDB-UHFFFAOYSA-N
XLogP4.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine (CID 2807278) is N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine is C=C1SC(Nc2cccc(Cl)c2C)=NC1(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine?
The InChIKey is XOOFHIVOROOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-8-10(14)6-5-7-11(8)15-12-16-13(3,4)9(2)17-12/h5-7H,2H2,1,3-4H3,(H,15,16).
What are the key properties of N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine?
N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4,4-dimethyl-5-methylidene-1,3-thiazol-2-amine is sourced from PubChem (CID 2807278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).