1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea

C16H21N3OS2 — CID 2477457

IUPAC1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NC[C@H](c2cccs2)N(C)C)c1
InChIInChI=1S/C16H21N3OS2/c1-19(2)14(15-8-5-9-22-15)11-17-16(21)18-12-6-4-7-13(10-12)20-3/h4-10,14H,11H2,1-3H3,(H2,17,18,21)/t14-/m1/s1
InChIKeyLXFRLKHVPCCMQC-CQSZACIVSA-N
MW335.50 g/mol
LogP3.35
Rot. Bonds6

About 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea

1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea (PubChem CID 2477457) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea
PubChem CID2477457
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NC[C@H](c2cccs2)N(C)C)c1
InChIInChI=1S/C16H21N3OS2/c1-19(2)14(15-8-5-9-22-15)11-17-16(21)18-12-6-4-7-13(10-12)20-3/h4-10,14H,11H2,1-3H3,(H2,17,18,21)/t14-/m1/s1
InChIKeyLXFRLKHVPCCMQC-CQSZACIVSA-N
XLogP3.35
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,4-dimethylphenyl)thiourea
CID 7945296
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111250734
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-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea
CID 18204254
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea
CID 8790059
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiourea
CID 8656322
1-(3-methoxyphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea
CID 2455793
1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 8000996
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18161802
1-(3-methoxyphenyl)-3-pentylthiourea
CID 8619704

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea (CID 2477457) is 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)NC[C@H](c2cccs2)N(C)C)c1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea?
The InChIKey is LXFRLKHVPCCMQC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-19(2)14(15-8-5-9-22-15)11-17-16(21)18-12-6-4-7-13(10-12)20-3/h4-10,14H,11H2,1-3H3,(H2,17,18,21)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea?
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea has a molecular weight of 335.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 2477457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).