1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea

C15H17N3OS — CID 122246918

IUPAC1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cncc(C2CC2)c1)NCc1cccs1
InChIInChI=1S/C15H17N3OS/c19-15(18-10-14-2-1-5-20-14)17-8-11-6-13(9-16-7-11)12-3-4-12/h1-2,5-7,9,12H,3-4,8,10H2,(H2,17,18,19)
InChIKeyBYRZXVGSUHNDBN-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.02
Rot. Bonds5

About 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea

1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 122246918) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID122246918
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cncc(C2CC2)c1)NCc1cccs1
InChIInChI=1S/C15H17N3OS/c19-15(18-10-14-2-1-5-20-14)17-8-11-6-13(9-16-7-11)12-3-4-12/h1-2,5-7,9,12H,3-4,8,10H2,(H2,17,18,19)
InChIKeyBYRZXVGSUHNDBN-UHFFFAOYSA-N
XLogP3.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 122162911
1-tert-butyl-3-[(5-cyclopropyl-3-pyridinyl)methyl]urea
CID 122162869
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
CID 122246912
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 94909098
3-(3-chlorophenyl)-N-[(5-cyclopropyl-3-pyridinyl)methyl]propanamide
CID 122160679
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 122246918) is 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cncc(C2CC2)c1)NCc1cccs1.
What is the InChIKey of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is BYRZXVGSUHNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(18-10-14-2-1-5-20-14)17-8-11-6-13(9-16-7-11)12-3-4-12/h1-2,5-7,9,12H,3-4,8,10H2,(H2,17,18,19).
What are the key properties of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 287.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 122246918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).