3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea

C14H18N4OS — CID 47221310

IUPAC3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C14H18N4OS/c1-17(2)13-5-4-12(8-15-13)16-14(19)18(3)9-11-6-7-20-10-11/h4-8,10H,9H2,1-3H3,(H,16,19)
InChIKeyFPWKZKZFTXLNHD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.87
Rot. Bonds4

About 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea

3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea (PubChem CID 47221310) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
PubChem CID47221310
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C14H18N4OS/c1-17(2)13-5-4-12(8-15-13)16-14(19)18(3)9-11-6-7-20-10-11/h4-8,10H,9H2,1-3H3,(H,16,19)
InChIKeyFPWKZKZFTXLNHD-UHFFFAOYSA-N
XLogP2.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea (CID 47221310) is 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea is CN(Cc1ccsc1)C(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The InChIKey is FPWKZKZFTXLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-17(2)13-5-4-12(8-15-13)16-14(19)18(3)9-11-6-7-20-10-11/h4-8,10H,9H2,1-3H3,(H,16,19).
What are the key properties of 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-3-pyridinyl]-1-methyl-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 47221310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).