1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C14H18N4O2S — CID 111443096

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCN(C)c1ccc(NC(=O)NCC(O)c2ccsc2)cn1
InChIInChI=1S/C14H18N4O2S/c1-18(2)13-4-3-11(7-15-13)17-14(20)16-8-12(19)10-5-6-21-9-10/h3-7,9,12,19H,8H2,1-2H3,(H2,16,17,20)
InChIKeyJLPZKZTWXCILSS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.06
Rot. Bonds5

About 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 111443096) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID111443096
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCN(C)c1ccc(NC(=O)NCC(O)c2ccsc2)cn1
InChIInChI=1S/C14H18N4O2S/c1-18(2)13-4-3-11(7-15-13)17-14(20)16-8-12(19)10-5-6-21-9-10/h3-7,9,12,19H,8H2,1-2H3,(H2,16,17,20)
InChIKeyJLPZKZTWXCILSS-UHFFFAOYSA-N
XLogP2.06
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 95774476
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 111443137
1-(3-butoxyphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443170
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 71861276
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111440973

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 111443096) is 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is CN(C)c1ccc(NC(=O)NCC(O)c2ccsc2)cn1.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is JLPZKZTWXCILSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18(2)13-4-3-11(7-15-13)17-14(20)16-8-12(19)10-5-6-21-9-10/h3-7,9,12,19H,8H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 306.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 111443096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).