(Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine

C11H19N3S — CID 87804970

IUPAC(Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
SMILESCC(C)=N/N=c1\scc(C(C)(C)C)n1C
InChIInChI=1S/C11H19N3S/c1-8(2)12-13-10-14(6)9(7-15-10)11(3,4)5/h7H,1-6H3/b13-10-
InChIKeyBIHQIGYULGHKAS-RAXLEYEMSA-N
MW225.36 g/mol
LogP2.68
Rot. Bonds1

About (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine

(Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine (PubChem CID 87804970) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
PubChem CID87804970
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name(Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
SMILESCC(C)=N/N=c1\scc(C(C)(C)C)n1C
InChIInChI=1S/C11H19N3S/c1-8(2)12-13-10-14(6)9(7-15-10)11(3,4)5/h7H,1-6H3/b13-10-
InChIKeyBIHQIGYULGHKAS-RAXLEYEMSA-N
XLogP2.68
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine (CID 87804970) is (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine is CC(C)=N/N=c1\scc(C(C)(C)C)n1C.
What is the InChIKey of (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine?
The InChIKey is BIHQIGYULGHKAS-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(2)12-13-10-14(6)9(7-15-10)11(3,4)5/h7H,1-6H3/b13-10-.
What are the key properties of (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine?
(Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine has a molecular weight of 225.36 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-tert-butyl-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 87804970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).