1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone

C18H18N4OS — CID 135112930

IUPAC1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCc2nc(-c3ccccc3)cs2)nc1C
InChIInChI=1S/C18H18N4OS/c1-12-15(13(2)23)10-20-18(21-12)19-9-8-17-22-16(11-24-17)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,21)
InChIKeyJWYJNDWJBHSSDE-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.77
Rot. Bonds6

About 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone

1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone (PubChem CID 135112930) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone
PubChem CID135112930
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCc2nc(-c3ccccc3)cs2)nc1C
InChIInChI=1S/C18H18N4OS/c1-12-15(13(2)23)10-20-18(21-12)19-9-8-17-22-16(11-24-17)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,21)
InChIKeyJWYJNDWJBHSSDE-UHFFFAOYSA-N
XLogP3.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
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CID 82115866
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone
CID 137335001
3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 90649319
N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816774
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
CID 82103135
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone (CID 135112930) is 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone is CC(=O)c1cnc(NCCc2nc(-c3ccccc3)cs2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone?
The InChIKey is JWYJNDWJBHSSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-15(13(2)23)10-20-18(21-12)19-9-8-17-22-16(11-24-17)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone?
1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone has a molecular weight of 338.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 135112930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).