(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine

C10H15N3S — CID 87804391

IUPAC(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C)cs/c1=N\N=C(C)C
InChIInChI=1S/C10H15N3S/c1-5-6-13-9(4)7-14-10(13)12-11-8(2)3/h5,7H,1,6H2,2-4H3/b12-10-
InChIKeyLLSIJUOAKLWWDV-BENRWUELSA-N
MW209.32 g/mol
LogP2.34
Rot. Bonds3

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

(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 87804391) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is (Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID87804391
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C)cs/c1=N\N=C(C)C
InChIInChI=1S/C10H15N3S/c1-5-6-13-9(4)7-14-10(13)12-11-8(2)3/h5,7H,1,6H2,2-4H3/b12-10-
InChIKeyLLSIJUOAKLWWDV-BENRWUELSA-N
XLogP2.34
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine (CID 87804391) is (Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(C)cs/c1=N\N=C(C)C.
What is the InChIKey of (Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is LLSIJUOAKLWWDV-BENRWUELSA-N. The full InChI is InChI=1S/C10H15N3S/c1-5-6-13-9(4)7-14-10(13)12-11-8(2)3/h5,7H,1,6H2,2-4H3/b12-10-.
What are the key properties of (Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine?
(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 209.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 87804391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).