1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

C15H19N3O2S — CID 75523367

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCc1cc(C)nc(NC(=O)NCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C15H19N3O2S/c1-10-6-11(2)17-13(7-10)18-14(19)16-9-15(3,20)12-4-5-21-8-12/h4-8,20H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyZXQSACHSYMJIGN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.79
Rot. Bonds4

About 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (PubChem CID 75523367) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
PubChem CID75523367
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCc1cc(C)nc(NC(=O)NCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C15H19N3O2S/c1-10-6-11(2)17-13(7-10)18-14(19)16-9-15(3,20)12-4-5-21-8-12/h4-8,20H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyZXQSACHSYMJIGN-UHFFFAOYSA-N
XLogP2.79
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111453026
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111475357
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775579
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(4-nitrophenyl)urea
CID 95775457
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 71847782
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (CID 75523367) is 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is Cc1cc(C)nc(NC(=O)NCC(C)(O)c2ccsc2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The InChIKey is ZXQSACHSYMJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-6-11(2)17-13(7-10)18-14(19)16-9-15(3,20)12-4-5-21-8-12/h4-8,20H,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea has a molecular weight of 305.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 75523367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).