1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea

C13H16N4OS — CID 86861212

IUPAC1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea
SMILESCc1csc(NC(=O)N(C)C(C)c2ccccn2)n1
InChIInChI=1S/C13H16N4OS/c1-9-8-19-12(15-9)16-13(18)17(3)10(2)11-6-4-5-7-14-11/h4-8,10H,1-3H3,(H,15,16,18)
InChIKeyAIZPDWSKWVKXGC-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.07
Rot. Bonds3

About 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea

1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea (PubChem CID 86861212) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea
PubChem CID86861212
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea
SMILESCc1csc(NC(=O)N(C)C(C)c2ccccn2)n1
InChIInChI=1S/C13H16N4OS/c1-9-8-19-12(15-9)16-13(18)17(3)10(2)11-6-4-5-7-14-11/h4-8,10H,1-3H3,(H,15,16,18)
InChIKeyAIZPDWSKWVKXGC-UHFFFAOYSA-N
XLogP3.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 47841065
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea
CID 87008976
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533
1-methyl-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861444
N'-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 95209343
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea (CID 86861212) is 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea is Cc1csc(NC(=O)N(C)C(C)c2ccccn2)n1.
What is the InChIKey of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea?
The InChIKey is AIZPDWSKWVKXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-8-19-12(15-9)16-13(18)17(3)10(2)11-6-4-5-7-14-11/h4-8,10H,1-3H3,(H,15,16,18).
What are the key properties of 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea?
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea has a molecular weight of 276.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 86861212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).