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

C7H12N2S — CID 676485

IUPAC5-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(N)s1
InChIInChI=1S/C7H12N2S/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3,(H2,8,9)
InChIKeyYPVUVTIITAMAPQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.02
Rot. Bonds

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

5-tert-butyl-1,3-thiazol-2-amine (PubChem CID 676485) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-1,3-thiazol-2-amine
PubChem CID676485
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(N)s1
InChIInChI=1S/C7H12N2S/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3,(H2,8,9)
InChIKeyYPVUVTIITAMAPQ-UHFFFAOYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 5-tert-butyl-1,3-thiazol-2-amine (CID 676485) is 5-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1cnc(N)s1.
What is the InChIKey of 5-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is YPVUVTIITAMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-7(2,3)5-4-9-6(8)10-5/h4H,1-3H3,(H2,8,9).
What are the key properties of 5-tert-butyl-1,3-thiazol-2-amine?
5-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 156.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 676485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).