(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride

C7H12ClN3S — CID 87733892

IUPAC(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
SMILESC=CCn1c(C)cs/c1=N\N.Cl
InChIInChI=1S/C7H11N3S.ClH/c1-3-4-10-6(2)5-11-7(10)9-8;/h3,5H,1,4,8H2,2H3;1H/b9-7-;
InChIKeyUXNQOOKYZMCYNV-VILQZVERSA-N
MW205.71 g/mol
LogP1.24
Rot. Bonds2

About (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride

(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride (PubChem CID 87733892) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride.

Molecular Properties

Compound Name(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
PubChem CID87733892
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
SMILESC=CCn1c(C)cs/c1=N\N.Cl
InChIInChI=1S/C7H11N3S.ClH/c1-3-4-10-6(2)5-11-7(10)9-8;/h3,5H,1,4,8H2,2H3;1H/b9-7-;
InChIKeyUXNQOOKYZMCYNV-VILQZVERSA-N
XLogP1.24
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride?
The IUPAC name of (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride (CID 87733892) is (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride.
What is the SMILES notation for (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride?
The canonical SMILES for (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride is C=CCn1c(C)cs/c1=N\N.Cl.
What is the InChIKey of (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride?
The InChIKey is UXNQOOKYZMCYNV-VILQZVERSA-N. The full InChI is InChI=1S/C7H11N3S.ClH/c1-3-4-10-6(2)5-11-7(10)9-8;/h3,5H,1,4,8H2,2H3;1H/b9-7-;.
What are the key properties of (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride?
(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride is sourced from PubChem (CID 87733892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).