(1-pyridin-3-ylethenylamino)thiourea

C8H10N4S — CID 4661385

IUPAC(1-pyridin-3-ylethenylamino)thiourea
SMILESC=C(NNC(N)=S)c1cccnc1
InChIInChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-3-2-4-10-5-7/h2-5,11H,1H2,(H3,9,12,13)
InChIKeyDGHXYDXCCYAHDC-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.39
Rot. Bonds3

About (1-pyridin-3-ylethenylamino)thiourea

(1-pyridin-3-ylethenylamino)thiourea (PubChem CID 4661385) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is (1-pyridin-3-ylethenylamino)thiourea.

Molecular Properties

Compound Name(1-pyridin-3-ylethenylamino)thiourea
PubChem CID4661385
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name(1-pyridin-3-ylethenylamino)thiourea
SMILESC=C(NNC(N)=S)c1cccnc1
InChIInChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-3-2-4-10-5-7/h2-5,11H,1H2,(H3,9,12,13)
InChIKeyDGHXYDXCCYAHDC-UHFFFAOYSA-N
XLogP0.39
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-pyridin-3-ylethenylamino)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(pyridin-3-ylamino)thiourea
CID 3571447
3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide
CID 3490793
tert-butyl N-(1-pyridin-3-ylethenylamino)carbamate
CID 2589873
1-pyridin-3-ylethanethione
CID 11815891
pyridin-3-ylthiourea
CID 2760515
(pyridin-3-ylmethylamino)thiourea;hydrochloride
CID 21152363
methanesulfonic acid;2-pyridin-3-ylprop-2-enamide
CID 174863919
N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370
benzyl N-(1-pyridin-3-ylethenyl)carbamate
CID 11851043
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
benzene;pyridine-3-carboxamide
CID 66766032

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-3-ylethenylamino)thiourea?
The IUPAC name of (1-pyridin-3-ylethenylamino)thiourea (CID 4661385) is (1-pyridin-3-ylethenylamino)thiourea.
What is the SMILES notation for (1-pyridin-3-ylethenylamino)thiourea?
The canonical SMILES for (1-pyridin-3-ylethenylamino)thiourea is C=C(NNC(N)=S)c1cccnc1.
What is the InChIKey of (1-pyridin-3-ylethenylamino)thiourea?
The InChIKey is DGHXYDXCCYAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6(11-12-8(9)13)7-3-2-4-10-5-7/h2-5,11H,1H2,(H3,9,12,13).
What are the key properties of (1-pyridin-3-ylethenylamino)thiourea?
(1-pyridin-3-ylethenylamino)thiourea has a molecular weight of 194.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-3-ylethenylamino)thiourea is sourced from PubChem (CID 4661385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).