1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea

C19H27N3S2 — CID 8684319

IUPAC1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea
SMILESCCc1cccc(CC)c1NC(=S)NC[C@@H](c1cccs1)N(C)C
InChIInChI=1S/C19H27N3S2/c1-5-14-9-7-10-15(6-2)18(14)21-19(23)20-13-16(22(3)4)17-11-8-12-24-17/h7-12,16H,5-6,13H2,1-4H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyMTAJEIODCNXMJJ-INIZCTEOSA-N
MW361.58 g/mol
LogP4.46
Rot. Bonds7

About 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea

1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea (PubChem CID 8684319) has the molecular formula C19H27N3S2 and a molecular weight of 361.58 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea
PubChem CID8684319
Molecular FormulaC19H27N3S2
Molecular Weight361.58 g/mol
Exact Mass361.16
IUPAC Name1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea
SMILESCCc1cccc(CC)c1NC(=S)NC[C@@H](c1cccs1)N(C)C
InChIInChI=1S/C19H27N3S2/c1-5-14-9-7-10-15(6-2)18(14)21-19(23)20-13-16(22(3)4)17-11-8-12-24-17/h7-12,16H,5-6,13H2,1-4H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyMTAJEIODCNXMJJ-INIZCTEOSA-N
XLogP4.46
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.58
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-diethylphenyl)-3-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]thiourea
CID 8656960
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea
CID 8684333
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea
CID 8790059
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea
CID 7945296
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea
CID 2477457
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea
CID 18204254
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187822
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea (CID 8684319) is 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea is CCc1cccc(CC)c1NC(=S)NC[C@@H](c1cccs1)N(C)C.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea?
The InChIKey is MTAJEIODCNXMJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3S2/c1-5-14-9-7-10-15(6-2)18(14)21-19(23)20-13-16(22(3)4)17-11-8-12-24-17/h7-12,16H,5-6,13H2,1-4H3,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea?
1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea has a molecular weight of 361.58 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea is sourced from PubChem (CID 8684319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).