2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C13H16N4O2S — CID 126840670

IUPAC2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCCCOc1ccnc(CC(=O)NCc2nccs2)n1
InChIInChI=1S/C13H16N4O2S/c1-2-6-19-12-3-4-14-10(17-12)8-11(18)16-9-13-15-5-7-20-13/h3-5,7H,2,6,8-9H2,1H3,(H,16,18)
InChIKeyWIVMZPGIBKNZSH-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.58
Rot. Bonds7

About 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 126840670) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID126840670
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCCCOc1ccnc(CC(=O)NCc2nccs2)n1
InChIInChI=1S/C13H16N4O2S/c1-2-6-19-12-3-4-14-10(17-12)8-11(18)16-9-13-15-5-7-20-13/h3-5,7H,2,6,8-9H2,1H3,(H,16,18)
InChIKeyWIVMZPGIBKNZSH-UHFFFAOYSA-N
XLogP1.58
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110738852
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
2-(4-hydroxyphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110463122
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
N-[1-(2-oxabicyclo[2.1.1]hexan-1-yl)ethyl]-2-(4-propoxypyrimidin-2-yl)acetamide
CID 167819458
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115974224
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 58470043

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 126840670) is 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is CCCOc1ccnc(CC(=O)NCc2nccs2)n1.
What is the InChIKey of 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is WIVMZPGIBKNZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-6-19-12-3-4-14-10(17-12)8-11(18)16-9-13-15-5-7-20-13/h3-5,7H,2,6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxypyrimidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 126840670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).