4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene

C8H9N3S2 — CID 67906774

IUPAC4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene
SMILESCc1ccsc1N=NC1=NCCS1
InChIInChI=1S/C8H9N3S2/c1-6-2-4-12-7(6)10-11-8-9-3-5-13-8/h2,4H,3,5H2,1H3
InChIKeyDKXLVPDSPXUIIL-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.24
Rot. Bonds1

About 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene

4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene (PubChem CID 67906774) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene
PubChem CID67906774
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene
SMILESCc1ccsc1N=NC1=NCCS1
InChIInChI=1S/C8H9N3S2/c1-6-2-4-12-7(6)10-11-8-9-3-5-13-8/h2,4H,3,5H2,1H3
InChIKeyDKXLVPDSPXUIIL-UHFFFAOYSA-N
XLogP3.24
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylthiophen-2-yl)propan-1-imine
CID 173487422
[2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene
CID 67906404
2,3-dimethylthiophene;ethane
CID 54075062
1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
CID 116914575
4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline
CID 3024540
(NZ)-N-(5-methyl-2,3-dihydro-1,4-thiazin-6-ylidene)hydroxylamine
CID 137156416
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
N-butyl-N,3-dimethylthiophene-2-carboxamide
CID 86978133
3-methylthiophen-2-amine
CID 14536436
(1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 95122078
3,3-dihydroxy-2-[(3-methylthiophen-2-yl)iminomethyl]prop-2-enoic acid;tungsten
CID 147325545

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene?
The IUPAC name of 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene (CID 67906774) is 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene is Cc1ccsc1N=NC1=NCCS1.
What is the InChIKey of 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene?
The InChIKey is DKXLVPDSPXUIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-6-2-4-12-7(6)10-11-8-9-3-5-13-8/h2,4H,3,5H2,1H3.
What are the key properties of 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene?
4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene has a molecular weight of 211.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene is sourced from PubChem (CID 67906774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).