1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea

C13H13N3O2S2 — CID 8000996

IUPAC1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
SMILESCOc1cccc(NC(=S)NNC(=O)c2cccs2)c1
InChIInChI=1S/C13H13N3O2S2/c1-18-10-5-2-4-9(8-10)14-13(19)16-15-12(17)11-6-3-7-20-11/h2-8H,1H3,(H,15,17)(H2,14,16,19)
InChIKeyGBLISIMSTMRAHP-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.39
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea

1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea (PubChem CID 8000996) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
PubChem CID8000996
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
SMILESCOc1cccc(NC(=S)NNC(=O)c2cccs2)c1
InChIInChI=1S/C13H13N3O2S2/c1-18-10-5-2-4-9(8-10)14-13(19)16-15-12(17)11-6-3-7-20-11/h2-8H,1H3,(H,15,17)(H2,14,16,19)
InChIKeyGBLISIMSTMRAHP-UHFFFAOYSA-N
XLogP2.39
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)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

1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 1496159
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631489
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea
CID 8000990
N-[(2S)-3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724691
1-(4-bromophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 18708934
1-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 848929
3-hydroxy-N-(3-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thiophen-2-ylprop-2-enethioamide
CID 135561985
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
ethyl N-[(3-methoxyphenyl)carbamothioylamino]carbamate
CID 2823947
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615
N-[2-[[4-[(3-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121063056

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea (CID 8000996) is 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea is COc1cccc(NC(=S)NNC(=O)c2cccs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea?
The InChIKey is GBLISIMSTMRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-18-10-5-2-4-9(8-10)14-13(19)16-15-12(17)11-6-3-7-20-11/h2-8H,1H3,(H,15,17)(H2,14,16,19).
What are the key properties of 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea?
1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea has a molecular weight of 307.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea is sourced from PubChem (CID 8000996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).