1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea

C13H16N4O2S — CID 163867469

IUPAC1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea
SMILESCc1cc(=O)c(CNC(=O)N(C)C)c(-c2cncs2)[nH]1
InChIInChI=1S/C13H16N4O2S/c1-8-4-10(18)9(5-15-13(19)17(2)3)12(16-8)11-6-14-7-20-11/h4,6-7H,5H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyPHWIXPOOHSQVSP-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.58
Rot. Bonds3

About 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea

1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea (PubChem CID 163867469) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea
PubChem CID163867469
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea
SMILESCc1cc(=O)c(CNC(=O)N(C)C)c(-c2cncs2)[nH]1
InChIInChI=1S/C13H16N4O2S/c1-8-4-10(18)9(5-15-13(19)17(2)3)12(16-8)11-6-14-7-20-11/h4,6-7H,5H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyPHWIXPOOHSQVSP-UHFFFAOYSA-N
XLogP1.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea with MolForge

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Related Compounds

2,2-dimethyl-N-[(6-methyl-4-oxo-2-thiophen-2-yl-1H-pyridin-3-yl)methyl]propanamide
CID 118544296
N-[[6-methyl-2-(1,3-oxazol-2-yl)-4-oxo-1H-pyridin-3-yl]methyl]acetamide
CID 118544386
6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 104579123
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 142300586
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,2-thiazol-5-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252875
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 112521754
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
CID 134340689
N-[[6-(dimethylamino)-2-methyl-4-oxo-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
CID 118544293
N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide
CID 144654863
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443864

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea (CID 163867469) is 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea is Cc1cc(=O)c(CNC(=O)N(C)C)c(-c2cncs2)[nH]1.
What is the InChIKey of 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea?
The InChIKey is PHWIXPOOHSQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-4-10(18)9(5-15-13(19)17(2)3)12(16-8)11-6-14-7-20-11/h4,6-7H,5H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea?
1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea has a molecular weight of 292.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]urea is sourced from PubChem (CID 163867469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).