5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine

C12H15ClN4OS — CID 133337743

IUPAC5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
SMILESCOC(C)c1nc(CN(C)c2ncc(Cl)cn2)cs1
InChIInChI=1S/C12H15ClN4OS/c1-8(18-3)11-16-10(7-19-11)6-17(2)12-14-4-9(13)5-15-12/h4-5,7-8H,6H2,1-3H3
InChIKeyWYDNLECYDFYGIK-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.93
Rot. Bonds5

About 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine

5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine (PubChem CID 133337743) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
PubChem CID133337743
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
SMILESCOC(C)c1nc(CN(C)c2ncc(Cl)cn2)cs1
InChIInChI=1S/C12H15ClN4OS/c1-8(18-3)11-16-10(7-19-11)6-17(2)12-14-4-9(13)5-15-12/h4-5,7-8H,6H2,1-3H3
InChIKeyWYDNLECYDFYGIK-UHFFFAOYSA-N
XLogP2.93
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methylpyrazin-2-amine
CID 97234611
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
7-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 166199097
3-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]benzonitrile
CID 133337732
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 133337775
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133337753
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
CID 133410822
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide
CID 75442605
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide
CID 71981126
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine
CID 133337708
6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine
CID 133337737

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine (CID 133337743) is 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine is COC(C)c1nc(CN(C)c2ncc(Cl)cn2)cs1.
What is the InChIKey of 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine?
The InChIKey is WYDNLECYDFYGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-8(18-3)11-16-10(7-19-11)6-17(2)12-14-4-9(13)5-15-12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine?
5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine has a molecular weight of 298.80 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 133337743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).