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

C9H16N2S — CID 12910384

IUPAC4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C9H16N2S/c1-9(2,3)7-6-12-8(10-7)11(4)5/h6H,1-5H3
InChIKeyPEYFAVXZJITYMY-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.51
Rot. Bonds1

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

4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 12910384) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID12910384
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C9H16N2S/c1-9(2,3)7-6-12-8(10-7)11(4)5/h6H,1-5H3
InChIKeyPEYFAVXZJITYMY-UHFFFAOYSA-N
XLogP2.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine (CID 12910384) is 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is PEYFAVXZJITYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(2,3)7-6-12-8(10-7)11(4)5/h6H,1-5H3.
What are the key properties of 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine?
4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 12910384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).