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

C8H14N2S — CID 4175801

IUPAC4-tert-butyl-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(C(C)(C)C)cs1
InChIInChI=1S/C8H14N2S/c1-8(2,3)6-5-11-7(9-4)10-6/h5H,1-4H3,(H,9,10)
InChIKeyNEALBPIDYISVSU-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.48
Rot. Bonds1

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

4-tert-butyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 4175801) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-1,3-thiazol-2-amine
PubChem CID4175801
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-tert-butyl-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(C(C)(C)C)cs1
InChIInChI=1S/C8H14N2S/c1-8(2,3)6-5-11-7(9-4)10-6/h5H,1-4H3,(H,9,10)
InChIKeyNEALBPIDYISVSU-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-tert-butyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-methyl-1,3-thiazol-2-amine (CID 4175801) is 4-tert-butyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-1,3-thiazol-2-amine is CNc1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-tert-butyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is NEALBPIDYISVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-8(2,3)6-5-11-7(9-4)10-6/h5H,1-4H3,(H,9,10).
What are the key properties of 4-tert-butyl-N-methyl-1,3-thiazol-2-amine?
4-tert-butyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 4175801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).