N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

C18H20N4O3S — CID 121123701

IUPACN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)Cn1cnc(C(C)C)cc1=O
InChIInChI=1S/C18H20N4O3S/c1-11(2)13-7-17(24)22(10-20-13)9-16(23)19-8-15-12(3)21-18(26-15)14-5-4-6-25-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyMKEFIUZNWXLLTQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.71
Rot. Bonds6

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (PubChem CID 121123701) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
PubChem CID121123701
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)Cn1cnc(C(C)C)cc1=O
InChIInChI=1S/C18H20N4O3S/c1-11(2)13-7-17(24)22(10-20-13)9-16(23)19-8-15-12(3)21-18(26-15)14-5-4-6-25-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyMKEFIUZNWXLLTQ-UHFFFAOYSA-N
XLogP2.71
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121123709
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121123620
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121123713
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121123827
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261996
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
CID 122262494
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
CID 121123570

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (CID 121123701) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is Cc1nc(-c2ccco2)sc1CNC(=O)Cn1cnc(C(C)C)cc1=O.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is MKEFIUZNWXLLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11(2)13-7-17(24)22(10-20-13)9-16(23)19-8-15-12(3)21-18(26-15)14-5-4-6-25-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,23).
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121123701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).