1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea

C15H17N3OS2 — CID 22299507

IUPAC1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
SMILESCCc1cc(C(=O)NN(C(N)=S)c2cccc(C)c2)cs1
InChIInChI=1S/C15H17N3OS2/c1-3-13-8-11(9-21-13)14(19)17-18(15(16)20)12-6-4-5-10(2)7-12/h4-9H,3H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyOGXLTBDEZDLGFT-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.01
Rot. Bonds3

About 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea

1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea (PubChem CID 22299507) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
PubChem CID22299507
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
SMILESCCc1cc(C(=O)NN(C(N)=S)c2cccc(C)c2)cs1
InChIInChI=1S/C15H17N3OS2/c1-3-13-8-11(9-21-13)14(19)17-18(15(16)20)12-6-4-5-10(2)7-12/h4-9H,3H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyOGXLTBDEZDLGFT-UHFFFAOYSA-N
XLogP3.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
CID 22306071
1-(3-methylphenyl)-1-[(4-phenylbenzoyl)amino]thiourea
CID 22306374
1-ethyl-1-[(5-ethylthiophene-3-carbonyl)amino]thiourea
CID 21157559
1-(3-methylphenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 21148811
1-(3-methylphenyl)-1-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]thiourea
CID 20849809
2-(3-methyl-N-methylsulfanylanilino)acetamide
CID 142236942
5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 81360413
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]benzenecarbothioamide
CID 62971604
methyl 2-[(N,3-dimethylanilino)methyl]butanoate
CID 115253087
2-(2-amino-2-sulfanylideneethyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 94806445

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea?
The IUPAC name of 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea (CID 22299507) is 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea?
The canonical SMILES for 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea is CCc1cc(C(=O)NN(C(N)=S)c2cccc(C)c2)cs1.
What is the InChIKey of 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea?
The InChIKey is OGXLTBDEZDLGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-3-13-8-11(9-21-13)14(19)17-18(15(16)20)12-6-4-5-10(2)7-12/h4-9H,3H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea?
1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea has a molecular weight of 319.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea is sourced from PubChem (CID 22299507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).