1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea

C16H19N3OS2 — CID 22306071

IUPAC1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
SMILESCCc1c(C(=O)NN(C(N)=S)c2cccc(C)c2)csc1C
InChIInChI=1S/C16H19N3OS2/c1-4-13-11(3)22-9-14(13)15(20)18-19(16(17)21)12-7-5-6-10(2)8-12/h5-9H,4H2,1-3H3,(H2,17,21)(H,18,20)
InChIKeyLWVKSRAGHIHISD-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.32
Rot. Bonds3

About 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea

1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea (PubChem CID 22306071) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
PubChem CID22306071
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
SMILESCCc1c(C(=O)NN(C(N)=S)c2cccc(C)c2)csc1C
InChIInChI=1S/C16H19N3OS2/c1-4-13-11(3)22-9-14(13)15(20)18-19(16(17)21)12-7-5-6-10(2)8-12/h5-9H,4H2,1-3H3,(H2,17,21)(H,18,20)
InChIKeyLWVKSRAGHIHISD-UHFFFAOYSA-N
XLogP3.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.32
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-[(5-ethylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea
CID 22299507
1-(3-methylphenyl)-1-[(4-phenylbenzoyl)amino]thiourea
CID 22306374
1-butyl-1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]thiourea
CID 21157277
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
ethyl 4-ethyl-5-methylthiophene-3-carboxylate
CID 114748154
3-(N,3-dimethylanilino)pyridazine-4-carbothioamide
CID 80511212
2-(3-methyl-N-methylsulfanylanilino)acetamide
CID 142236942
2-(2-amino-2-sulfanylideneethyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 94806445
1-(1-benzothiophene-3-carbonylamino)-1-ethylthiourea
CID 22301185
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea?
The IUPAC name of 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea (CID 22306071) is 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea?
The canonical SMILES for 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea is CCc1c(C(=O)NN(C(N)=S)c2cccc(C)c2)csc1C.
What is the InChIKey of 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea?
The InChIKey is LWVKSRAGHIHISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-4-13-11(3)22-9-14(13)15(20)18-19(16(17)21)12-7-5-6-10(2)8-12/h5-9H,4H2,1-3H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea?
1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea has a molecular weight of 333.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]-1-(3-methylphenyl)thiourea is sourced from PubChem (CID 22306071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).