5-tert-butyl-4-methyl-1,3-thiazol-2-amine

C8H14N2S — CID 1081536

IUPAC5-tert-butyl-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)(C)C
InChIInChI=1S/C8H14N2S/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H2,9,10)
InChIKeyWCDNODZFXIBEJD-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.33
Rot. Bonds

About 5-tert-butyl-4-methyl-1,3-thiazol-2-amine

5-tert-butyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 1081536) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-1,3-thiazol-2-amine
PubChem CID1081536
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name5-tert-butyl-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)(C)C
InChIInChI=1S/C8H14N2S/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H2,9,10)
InChIKeyWCDNODZFXIBEJD-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-tert-butyl-4-methyl-1,3-thiazol-2-amine (CID 1081536) is 5-tert-butyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-tert-butyl-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is WCDNODZFXIBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5-6(8(2,3)4)11-7(9)10-5/h1-4H3,(H2,9,10).
What are the key properties of 5-tert-butyl-4-methyl-1,3-thiazol-2-amine?
5-tert-butyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1081536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).