4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine

C18H26N2S — CID 58442454

IUPAC4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)c1cc(C(C)C)c(-c2csc(N)n2)c(C(C)C)c1
InChIInChI=1S/C18H26N2S/c1-10(2)13-7-14(11(3)4)17(15(8-13)12(5)6)16-9-21-18(19)20-16/h7-12H,1-6H3,(H2,19,20)
InChIKeyCPHWMBZBSNHOOJ-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.76
Rot. Bonds4

About 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine

4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58442454) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID58442454
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)c1cc(C(C)C)c(-c2csc(N)n2)c(C(C)C)c1
InChIInChI=1S/C18H26N2S/c1-10(2)13-7-14(11(3)4)17(15(8-13)12(5)6)16-9-21-18(19)20-16/h7-12H,1-6H3,(H2,19,20)
InChIKeyCPHWMBZBSNHOOJ-UHFFFAOYSA-N
XLogP5.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine (CID 58442454) is 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine is CC(C)c1cc(C(C)C)c(-c2csc(N)n2)c(C(C)C)c1.
What is the InChIKey of 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is CPHWMBZBSNHOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-10(2)13-7-14(11(3)4)17(15(8-13)12(5)6)16-9-21-18(19)20-16/h7-12H,1-6H3,(H2,19,20).
What are the key properties of 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine?
4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 302.49 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58442454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).