1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea

C15H20N4O2S — CID 94181212

IUPAC1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NC[C@H](c1ccsc1)N(C)C
InChIInChI=1S/C15H20N4O2S/c1-19(2)13(11-6-8-22-10-11)9-17-15(20)18-12-5-4-7-16-14(12)21-3/h4-8,10,13H,9H2,1-3H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyVOXAPWQISLHEEQ-CYBMUJFWSA-N
MW320.42 g/mol
LogP2.58
Rot. Bonds6

About 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea

1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 94181212) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
PubChem CID94181212
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NC[C@H](c1ccsc1)N(C)C
InChIInChI=1S/C15H20N4O2S/c1-19(2)13(11-6-8-22-10-11)9-17-15(20)18-12-5-4-7-16-14(12)21-3/h4-8,10,13H,9H2,1-3H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyVOXAPWQISLHEEQ-CYBMUJFWSA-N
XLogP2.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 94021429
1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30521007
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 94202119
1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
CID 51953485
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
CID 94027034
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606334
(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434250
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea (CID 94181212) is 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea is COc1ncccc1NC(=O)NC[C@H](c1ccsc1)N(C)C.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is VOXAPWQISLHEEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-19(2)13(11-6-8-22-10-11)9-17-15(20)18-12-5-4-7-16-14(12)21-3/h4-8,10,13H,9H2,1-3H3,(H2,17,18,20)/t13-/m1/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea?
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 320.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 94181212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).