1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea

C13H14N4S — CID 54405070

IUPAC1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
SMILESCCNC(=S)N=c1ccn(-c2ccccc2)nc1
InChIInChI=1S/C13H14N4S/c1-2-14-13(18)16-11-8-9-17(15-10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,14,18)
InChIKeyVQCRCBWEWHFSKT-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.67
Rot. Bonds2

About 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea

1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea (PubChem CID 54405070) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
PubChem CID54405070
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
SMILESCCNC(=S)N=c1ccn(-c2ccccc2)nc1
InChIInChI=1S/C13H14N4S/c1-2-14-13(18)16-11-8-9-17(15-10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,14,18)
InChIKeyVQCRCBWEWHFSKT-UHFFFAOYSA-N
XLogP1.67
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-phenylpyridazin-4-ylidene)-3-propylurea
CID 54236103
N-(1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246433
S-propan-2-yl N-(1-phenylpyridazin-4-ylidene)carbamothioate
CID 54008116
[(E)-but-2-enyl] N-(1-phenylpyridazin-4-ylidene)carbamate
CID 70392936
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206636
2-(2,5-dimethoxyphenyl)-N-(1-phenylpyridazin-4-ylidene)acetamide
CID 70482716
1,3-diethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 75406975
3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206639
[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
CID 150642203
2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206641
N-(2-ethoxyoxan-2-yl)-1-phenylpyridazin-4-imine
CID 70497685

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea?
The IUPAC name of 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea (CID 54405070) is 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea.
What is the SMILES notation for 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea?
The canonical SMILES for 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea is CCNC(=S)N=c1ccn(-c2ccccc2)nc1.
What is the InChIKey of 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea?
The InChIKey is VQCRCBWEWHFSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-14-13(18)16-11-8-9-17(15-10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,14,18).
What are the key properties of 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea?
1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea has a molecular weight of 258.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea is sourced from PubChem (CID 54405070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).