1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea

C18H24N4OS — CID 40516457

IUPAC1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](c2cccnc2)N(C)C)cc1
InChIInChI=1S/C18H24N4OS/c1-4-23-16-9-7-15(8-10-16)21-18(24)20-13-17(22(2)3)14-6-5-11-19-12-14/h5-12,17H,4,13H2,1-3H3,(H2,20,21,24)/t17-/m0/s1
InChIKeyJLAYIZICTVTTRD-KRWDZBQOSA-N
MW344.48 g/mol
LogP3.07
Rot. Bonds7

About 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea

1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea (PubChem CID 40516457) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea
PubChem CID40516457
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](c2cccnc2)N(C)C)cc1
InChIInChI=1S/C18H24N4OS/c1-4-23-16-9-7-15(8-10-16)21-18(24)20-13-17(22(2)3)14-6-5-11-19-12-14/h5-12,17H,4,13H2,1-3H3,(H2,20,21,24)/t17-/m0/s1
InChIKeyJLAYIZICTVTTRD-KRWDZBQOSA-N
XLogP3.07
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.07
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-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea
CID 3606263
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 7943967
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8658729
1-(3-chloro-4-fluorophenyl)-3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]thiourea
CID 21008720
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615001
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiourea
CID 8656322
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
CID 8656989

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea (CID 40516457) is 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)NC[C@@H](c2cccnc2)N(C)C)cc1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea?
The InChIKey is JLAYIZICTVTTRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-4-23-16-9-7-15(8-10-16)21-18(24)20-13-17(22(2)3)14-6-5-11-19-12-14/h5-12,17H,4,13H2,1-3H3,(H2,20,21,24)/t17-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea?
1-[(2R)-2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea has a molecular weight of 344.48 g/mol, XLogP of 3.07, 7 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-pyridin-3-ylethyl]-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 40516457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).