1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea

C10H13N3S2 — CID 2792561

IUPAC1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea
SMILESC=CCNC(=S)NN=C(C)c1cccs1
InChIInChI=1S/C10H13N3S2/c1-3-6-11-10(14)13-12-8(2)9-5-4-7-15-9/h3-5,7H,1,6H2,2H3,(H2,11,13,14)
InChIKeySTCNTWPFXSDDHJ-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.12
Rot. Bonds4

About 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea

1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea (PubChem CID 2792561) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea
PubChem CID2792561
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea
SMILESC=CCNC(=S)NN=C(C)c1cccs1
InChIInChI=1S/C10H13N3S2/c1-3-6-11-10(14)13-12-8(2)9-5-4-7-15-9/h3-5,7H,1,6H2,2H3,(H2,11,13,14)
InChIKeySTCNTWPFXSDDHJ-UHFFFAOYSA-N
XLogP2.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-[(1,3-dioxoinden-2-yl)-thiophen-2-ylmethylidene]amino]-3-prop-2-enylthiourea
CID 6299849
methyl 6-[[(Z)-1-thiophen-2-ylethylideneamino]carbamothioylamino]hexanoate
CID 9350379
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
1-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-prop-2-enylthiourea
CID 6046669
1-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-prop-2-enylthiourea
CID 135731090
1-[1-(2-oxochromen-3-yl)ethylideneamino]-3-prop-2-enylthiourea
CID 78618345
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
1-[(Z)-1-phenylpentylideneamino]-3-prop-2-enylthiourea
CID 8978817
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea?
The IUPAC name of 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea (CID 2792561) is 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea.
What is the SMILES notation for 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea?
The canonical SMILES for 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea is C=CCNC(=S)NN=C(C)c1cccs1.
What is the InChIKey of 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea?
The InChIKey is STCNTWPFXSDDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-3-6-11-10(14)13-12-8(2)9-5-4-7-15-9/h3-5,7H,1,6H2,2H3,(H2,11,13,14).
What are the key properties of 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea?
1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea has a molecular weight of 239.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(1-thiophen-2-ylethylideneamino)thiourea is sourced from PubChem (CID 2792561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).