1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea

C14H17N3OS — CID 99820561

IUPAC1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
SMILESCc1cccc(NC(=O)N(C)[C@H](C)c2cccs2)n1
InChIInChI=1S/C14H17N3OS/c1-10-6-4-8-13(15-10)16-14(18)17(3)11(2)12-7-5-9-19-12/h4-9,11H,1-3H3,(H,15,16,18)/t11-/m1/s1
InChIKeyIKRSSKQFNNVQST-LLVKDONJSA-N
MW275.38 g/mol
LogP3.68
Rot. Bonds3

About 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea

1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea (PubChem CID 99820561) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
PubChem CID99820561
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
SMILESCc1cccc(NC(=O)N(C)[C@H](C)c2cccs2)n1
InChIInChI=1S/C14H17N3OS/c1-10-6-4-8-13(15-10)16-14(18)17(3)11(2)12-7-5-9-19-12/h4-9,11H,1-3H3,(H,15,16,18)/t11-/m1/s1
InChIKeyIKRSSKQFNNVQST-LLVKDONJSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99820560
1-methyl-3-(1-propan-2-ylpyrazol-3-yl)-1-(1-thiophen-2-ylethyl)urea
CID 136539460
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55052175
3-(2-chlorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47137208
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
3-(2-chloro-3-pyridinyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47435001
1-methyl-3-[4-(pyrazol-1-ylmethyl)phenyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 95266017
methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate
CID 47065534
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
6-methyl-N-(2-thiophen-2-ylpropyl)pyridin-2-amine
CID 133483394

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea (CID 99820561) is 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea is Cc1cccc(NC(=O)N(C)[C@H](C)c2cccs2)n1.
What is the InChIKey of 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea?
The InChIKey is IKRSSKQFNNVQST-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-6-4-8-13(15-10)16-14(18)17(3)11(2)12-7-5-9-19-12/h4-9,11H,1-3H3,(H,15,16,18)/t11-/m1/s1.
What are the key properties of 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea?
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea has a molecular weight of 275.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 99820561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).