[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine

C11H13N3S2 — CID 116892116

IUPAC[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine
SMILESCCSc1ccc(-c2nc(NN)cs2)cc1
InChIInChI=1S/C11H13N3S2/c1-2-15-9-5-3-8(4-6-9)11-13-10(14-12)7-16-11/h3-7,14H,2,12H2,1H3
InChIKeyMKBVQQYWGGDGLQ-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.21
Rot. Bonds4

About [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine

[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine (PubChem CID 116892116) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine
PubChem CID116892116
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine
SMILESCCSc1ccc(-c2nc(NN)cs2)cc1
InChIInChI=1S/C11H13N3S2/c1-2-15-9-5-3-8(4-6-9)11-13-10(14-12)7-16-11/h3-7,14H,2,12H2,1H3
InChIKeyMKBVQQYWGGDGLQ-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892044
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 106849859
1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 106850289
methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 106847709
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983842
[2-(4-ethylsulfanylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 106849610
2-(bromomethyl)-4-(4-ethylsulfanylphenyl)-1,3-thiazole
CID 116970338
[6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine
CID 106849612
2-(4-ethylsulfanylphenyl)aniline
CID 68786818
5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
CID 106849376

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine?
The IUPAC name of [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine (CID 116892116) is [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine.
What is the SMILES notation for [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine?
The canonical SMILES for [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine is CCSc1ccc(-c2nc(NN)cs2)cc1.
What is the InChIKey of [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine?
The InChIKey is MKBVQQYWGGDGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-2-15-9-5-3-8(4-6-9)11-13-10(14-12)7-16-11/h3-7,14H,2,12H2,1H3.
What are the key properties of [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine?
[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine has a molecular weight of 251.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine is sourced from PubChem (CID 116892116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).