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

C12H13N3OS — CID 47236047

IUPAC1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1cccnc1NC(=O)NCc1cccs1
InChIInChI=1S/C12H13N3OS/c1-9-4-2-6-13-11(9)15-12(16)14-8-10-5-3-7-17-10/h2-7H,8H2,1H3,(H2,13,14,15,16)
InChIKeyAWROITUGPSOCKV-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.77
Rot. Bonds3

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

1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 47236047) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID47236047
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1cccnc1NC(=O)NCc1cccs1
InChIInChI=1S/C12H13N3OS/c1-9-4-2-6-13-11(9)15-12(16)14-8-10-5-3-7-17-10/h2-7H,8H2,1H3,(H2,13,14,15,16)
InChIKeyAWROITUGPSOCKV-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60620217
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 86789194
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 121082441

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea (CID 47236047) is 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea is Cc1cccnc1NC(=O)NCc1cccs1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is AWROITUGPSOCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-4-2-6-13-11(9)15-12(16)14-8-10-5-3-7-17-10/h2-7H,8H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea?
1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 247.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47236047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).