N-(3-tert-butylphenyl)-1,3-thiazol-2-amine

C13H16N2S — CID 59139842

IUPACN-(3-tert-butylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cccc(Nc2nccs2)c1
InChIInChI=1S/C13H16N2S/c1-13(2,3)10-5-4-6-11(9-10)15-12-14-7-8-16-12/h4-9H,1-3H3,(H,14,15)
InChIKeyYGPSNGDSMJZXFE-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.18
Rot. Bonds2

About N-(3-tert-butylphenyl)-1,3-thiazol-2-amine

N-(3-tert-butylphenyl)-1,3-thiazol-2-amine (PubChem CID 59139842) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-1,3-thiazol-2-amine
PubChem CID59139842
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(3-tert-butylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cccc(Nc2nccs2)c1
InChIInChI=1S/C13H16N2S/c1-13(2,3)10-5-4-6-11(9-10)15-12-14-7-8-16-12/h4-9H,1-3H3,(H,14,15)
InChIKeyYGPSNGDSMJZXFE-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-tert-butylphenyl)-1,3-thiazol-2-amine (CID 59139842) is N-(3-tert-butylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-tert-butylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-tert-butylphenyl)-1,3-thiazol-2-amine is CC(C)(C)c1cccc(Nc2nccs2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-1,3-thiazol-2-amine?
The InChIKey is YGPSNGDSMJZXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-13(2,3)10-5-4-6-11(9-10)15-12-14-7-8-16-12/h4-9H,1-3H3,(H,14,15).
What are the key properties of N-(3-tert-butylphenyl)-1,3-thiazol-2-amine?
N-(3-tert-butylphenyl)-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59139842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).