N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

C14H20N2S — CID 43439714

IUPACN-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccc(C(C)(C)C)cc2)=N1
InChIInChI=1S/C14H20N2S/c1-10-9-17-13(15-10)16-12-7-5-11(6-8-12)14(2,3)4/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyCEFXVZMAOMKEFQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.89
Rot. Bonds1

About N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439714) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439714
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccc(C(C)(C)C)cc2)=N1
InChIInChI=1S/C14H20N2S/c1-10-9-17-13(15-10)16-12-7-5-11(6-8-12)14(2,3)4/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyCEFXVZMAOMKEFQ-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439714) is N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(Nc2ccc(C(C)(C)C)cc2)=N1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CEFXVZMAOMKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10-9-17-13(15-10)16-12-7-5-11(6-8-12)14(2,3)4/h5-8,10H,9H2,1-4H3,(H,15,16).
What are the key properties of N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).