1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea

C18H15N3O2S2 — CID 6299849

IUPAC1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N/N=C(/c1cccs1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15N3O2S2/c1-2-9-19-18(24)21-20-15(13-8-5-10-25-13)14-16(22)11-6-3-4-7-12(11)17(14)23/h2-8,10,14H,1,9H2,(H2,19,21,24)/b20-15-
InChIKeyMUCSXTDNDRSZQX-HKWRFOASSA-N
MW369.47 g/mol
LogP2.80
Rot. Bonds5

About 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea

1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea (PubChem CID 6299849) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea
PubChem CID6299849
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N/N=C(/c1cccs1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15N3O2S2/c1-2-9-19-18(24)21-20-15(13-8-5-10-25-13)14-16(22)11-6-3-4-7-12(11)17(14)23/h2-8,10,14H,1,9H2,(H2,19,21,24)/b20-15-
InChIKeyMUCSXTDNDRSZQX-HKWRFOASSA-N
XLogP2.80
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea 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-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea
CID 2792561
1-[[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]-3-prop-2-enylthiourea
CID 4049959
1-(2,3-dihydroinden-1-ylideneamino)-3-prop-2-enylthiourea
CID 4658357
1-prop-2-enyl-3-[(E)-[(2E)-2-(prop-2-enylcarbamothioylhydrazinylidene)acenaphthylen-1-ylidene]amino]thiourea
CID 24748718
1-[(E)-phenacylideneamino]-3-prop-2-enylthiourea
CID 140501795
1-[(Z)-1-phenylpentylideneamino]-3-prop-2-enylthiourea
CID 8978817
1-[(5-oxospiro[1,2,4-triazinane-6,9'-fluorene]-3-ylidene)amino]-3-prop-2-enylthiourea
CID 135495899
3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-yl-3-thiophen-2-ylpropanethioamide
CID 7481387
1-[1-(2-oxochromen-3-yl)ethylideneamino]-3-prop-2-enylthiourea
CID 78618345
2-(1,3-dioxoisoindol-2-yl)-N-(prop-2-enylcarbamothioyl)acetamide
CID 19188923
4-(methylcarbamothioylhydrazinylidene)-4-thiophen-2-ylbutanoic acid
CID 4690416
[(E)-1-(1,3-dioxoinden-2-yl)propylideneamino]thiourea
CID 139216777

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea?
The IUPAC name of 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea (CID 6299849) is 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea is C=CCNC(=S)N/N=C(/c1cccs1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea?
The InChIKey is MUCSXTDNDRSZQX-HKWRFOASSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-2-9-19-18(24)21-20-15(13-8-5-10-25-13)14-16(22)11-6-3-4-7-12(11)17(14)23/h2-8,10,14H,1,9H2,(H2,19,21,24)/b20-15-.
What are the key properties of 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea?
1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea has a molecular weight of 369.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea is sourced from PubChem (CID 6299849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).