1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea

C12H12ClN3OS — CID 86789194

IUPAC1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1nccc(NC(=O)NCc2cccs2)c1Cl
InChIInChI=1S/C12H12ClN3OS/c1-8-11(13)10(4-5-14-8)16-12(17)15-7-9-3-2-6-18-9/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyXDPZYAXPSRGNJR-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea

1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 86789194) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID86789194
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1nccc(NC(=O)NCc2cccs2)c1Cl
InChIInChI=1S/C12H12ClN3OS/c1-8-11(13)10(4-5-14-8)16-12(17)15-7-9-3-2-6-18-9/h2-6H,7H2,1H3,(H2,14,15,16,17)
InChIKeyXDPZYAXPSRGNJR-UHFFFAOYSA-N
XLogP3.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47236047
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60620217
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
4-chloro-2-(thiophen-2-ylmethylcarbamoylamino)benzoic acid
CID 61195227
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 121082441
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 51082037
1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 143443839

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea (CID 86789194) is 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea is Cc1nccc(NC(=O)NCc2cccs2)c1Cl.
What is the InChIKey of 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is XDPZYAXPSRGNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-8-11(13)10(4-5-14-8)16-12(17)15-7-9-3-2-6-18-9/h2-6H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 281.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 86789194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).