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

C14H18N2S — CID 57473304

IUPAC5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H18N2S/c1-9-12(17-13(15)16-9)10-6-5-7-11(8-10)14(2,3)4/h5-8H,1-4H3,(H2,15,16)
InChIKeyBAWRCJKSHISJMZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.00
Rot. Bonds1

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

5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 57473304) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID57473304
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H18N2S/c1-9-12(17-13(15)16-9)10-6-5-7-11(8-10)14(2,3)4/h5-8H,1-4H3,(H2,15,16)
InChIKeyBAWRCJKSHISJMZ-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine (CID 57473304) is 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is BAWRCJKSHISJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-12(17-13(15)16-9)10-6-5-7-11(8-10)14(2,3)4/h5-8H,1-4H3,(H2,15,16).
What are the key properties of 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine?
5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 57473304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).