5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine

C9H16N2S — CID 2304055

IUPAC5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(C(C)(C)C)s1
InChIInChI=1S/C9H16N2S/c1-6-7(9(2,3)4)12-8(10-5)11-6/h1-5H3,(H,10,11)
InChIKeyOWWBOTZZEUPHBN-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.79
Rot. Bonds1

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

5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 2304055) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID2304055
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(C(C)(C)C)s1
InChIInChI=1S/C9H16N2S/c1-6-7(9(2,3)4)12-8(10-5)11-6/h1-5H3,(H,10,11)
InChIKeyOWWBOTZZEUPHBN-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine (CID 2304055) is 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OWWBOTZZEUPHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6-7(9(2,3)4)12-8(10-5)11-6/h1-5H3,(H,10,11).
What are the key properties of 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine?
5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2304055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).