1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine

C11H14N4S — CID 104841101

IUPAC1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCCc1nc(-c2ncccn2)sc1CNC
InChIInChI=1S/C11H14N4S/c1-3-8-9(7-12-2)16-11(15-8)10-13-5-4-6-14-10/h4-6,12H,3,7H2,1-2H3
InChIKeyRRSMYPGNRBDTOP-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.88
Rot. Bonds4

About 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine

1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine (PubChem CID 104841101) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
PubChem CID104841101
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCCc1nc(-c2ncccn2)sc1CNC
InChIInChI=1S/C11H14N4S/c1-3-8-9(7-12-2)16-11(15-8)10-13-5-4-6-14-10/h4-6,12H,3,7H2,1-2H3
InChIKeyRRSMYPGNRBDTOP-UHFFFAOYSA-N
XLogP1.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841070
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167
1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 113459583
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
1-[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103399663
2-methyl-N-[[4-(2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369705
1-[2-(3-ethyl-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365915
4-[4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889255
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841047
1-[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932020
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine (CID 104841101) is 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine is CCc1nc(-c2ncccn2)sc1CNC.
What is the InChIKey of 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
The InChIKey is RRSMYPGNRBDTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-8-9(7-12-2)16-11(15-8)10-13-5-4-6-14-10/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine?
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine has a molecular weight of 234.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 104841101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).