1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea

C17H23N3S2 — CID 7945296

IUPAC1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC[C@H](c2cccs2)N(C)C)cc1C
InChIInChI=1S/C17H23N3S2/c1-12-7-8-14(10-13(12)2)19-17(21)18-11-15(20(3)4)16-6-5-9-22-16/h5-10,15H,11H2,1-4H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyARBIOKOHKAGZIM-OAHLLOKOSA-N
MW333.53 g/mol
LogP3.95
Rot. Bonds5

About 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea

1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea (PubChem CID 7945296) has the molecular formula C17H23N3S2 and a molecular weight of 333.53 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea
PubChem CID7945296
Molecular FormulaC17H23N3S2
Molecular Weight333.53 g/mol
Exact Mass333.13
IUPAC Name1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC[C@H](c2cccs2)N(C)C)cc1C
InChIInChI=1S/C17H23N3S2/c1-12-7-8-14(10-13(12)2)19-17(21)18-11-15(20(3)4)16-6-5-9-22-16/h5-10,15H,11H2,1-4H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyARBIOKOHKAGZIM-OAHLLOKOSA-N
XLogP3.95
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 53.95
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-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea
CID 18204254
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea
CID 2477457
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3,4-dimethylphenyl)thiourea
CID 7945101
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea
CID 8790059
1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea
CID 8684319
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea
CID 8684333
1-[2-(dimethylamino)-2-phenylethyl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 24501843
1-(3-chloro-4-methylphenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8696918
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]thiourea
CID 8696707
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 95122907
3-(3,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-thiophen-2-ylethyl)thiourea
CID 5160056

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea (CID 7945296) is 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea is Cc1ccc(NC(=S)NC[C@H](c2cccs2)N(C)C)cc1C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea?
The InChIKey is ARBIOKOHKAGZIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3S2/c1-12-7-8-14(10-13(12)2)19-17(21)18-11-15(20(3)4)16-6-5-9-22-16/h5-10,15H,11H2,1-4H3,(H2,18,19,21)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea?
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea has a molecular weight of 333.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea is sourced from PubChem (CID 7945296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).