1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea

C19H21N3S2 — CID 8684333

IUPAC1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea
SMILESCN(C)[C@@H](CNC(=S)Nc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C19H21N3S2/c1-22(2)17(18-11-6-12-24-18)13-20-19(23)21-16-10-5-8-14-7-3-4-9-15(14)16/h3-12,17H,13H2,1-2H3,(H2,20,21,23)/t17-/m0/s1
InChIKeyGDSJMAAPUJKYDI-KRWDZBQOSA-N
MW355.53 g/mol
LogP4.49
Rot. Bonds5

About 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea

1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea (PubChem CID 8684333) has the molecular formula C19H21N3S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea
PubChem CID8684333
Molecular FormulaC19H21N3S2
Molecular Weight355.53 g/mol
Exact Mass355.12
IUPAC Name1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea
SMILESCN(C)[C@@H](CNC(=S)Nc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C19H21N3S2/c1-22(2)17(18-11-6-12-24-18)13-20-19(23)21-16-10-5-8-14-7-3-4-9-15(14)16/h3-12,17H,13H2,1-2H3,(H2,20,21,23)/t17-/m0/s1
InChIKeyGDSJMAAPUJKYDI-KRWDZBQOSA-N
XLogP4.49
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.49
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-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)thiourea
CID 8790059
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea
CID 18204254
1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea
CID 8684319
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
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94480375
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 94480374
1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea (CID 8684333) is 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea is CN(C)[C@@H](CNC(=S)Nc1cccc2ccccc12)c1cccs1.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea?
The InChIKey is GDSJMAAPUJKYDI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3S2/c1-22(2)17(18-11-6-12-24-18)13-20-19(23)21-16-10-5-8-14-7-3-4-9-15(14)16/h3-12,17H,13H2,1-2H3,(H2,20,21,23)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea?
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea has a molecular weight of 355.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 8684333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).