4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine

C8H14N2S — CID 58125052

IUPAC4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)C(C)c1csc(N)n1
InChIInChI=1S/C8H14N2S/c1-5(2)6(3)7-4-11-8(9)10-7/h4-6H,1-3H3,(H2,9,10)
InChIKeyHVVYYYCRFVAUIT-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.48
Rot. Bonds2

About 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine

4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 58125052) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID58125052
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)C(C)c1csc(N)n1
InChIInChI=1S/C8H14N2S/c1-5(2)6(3)7-4-11-8(9)10-7/h4-6H,1-3H3,(H2,9,10)
InChIKeyHVVYYYCRFVAUIT-UHFFFAOYSA-N
XLogP2.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine (CID 58125052) is 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine is CC(C)C(C)c1csc(N)n1.
What is the InChIKey of 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is HVVYYYCRFVAUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5(2)6(3)7-4-11-8(9)10-7/h4-6H,1-3H3,(H2,9,10).
What are the key properties of 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine?
4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58125052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).