4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine

C9H16N2S — CID 130693268

IUPAC4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine
SMILESCCC(C)c1cs/c(=N\C)n1C
InChIInChI=1S/C9H16N2S/c1-5-7(2)8-6-12-9(10-3)11(8)4/h6-7H,5H2,1-4H3/b10-9-
InChIKeyJHDBSEHOZNKHEW-KTKRTIGZSA-N
MW184.31 g/mol
LogP2.13
Rot. Bonds2

About 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine

4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine (PubChem CID 130693268) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine
PubChem CID130693268
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine
SMILESCCC(C)c1cs/c(=N\C)n1C
InChIInChI=1S/C9H16N2S/c1-5-7(2)8-6-12-9(10-3)11(8)4/h6-7H,5H2,1-4H3/b10-9-
InChIKeyJHDBSEHOZNKHEW-KTKRTIGZSA-N
XLogP2.13
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine?
The IUPAC name of 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine (CID 130693268) is 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine is CCC(C)c1cs/c(=N\C)n1C.
What is the InChIKey of 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine?
The InChIKey is JHDBSEHOZNKHEW-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5-7(2)8-6-12-9(10-3)11(8)4/h6-7H,5H2,1-4H3/b10-9-.
What are the key properties of 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine?
4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine has a molecular weight of 184.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N,3-dimethyl-1,3-thiazol-2-imine is sourced from PubChem (CID 130693268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).