2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide

C16H20N4O5S — CID 91794603

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
SMILESCc1cn(CC(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N4O5S/c1-10-4-20(16(23)19-15(10)22)5-14(21)18-12-7-24-3-2-13(12)25-6-11-8-26-9-17-11/h4,8-9,12-13H,2-3,5-7H2,1H3,(H,18,21)(H,19,22,23)/t12-,13+/m1/s1
InChIKeyRJAOQLQZUZQLMG-OLZOCXBDSA-N
MW380.43 g/mol
LogP-0.21
Rot. Bonds6

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide (PubChem CID 91794603) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
PubChem CID91794603
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
SMILESCc1cn(CC(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N4O5S/c1-10-4-20(16(23)19-15(10)22)5-14(21)18-12-7-24-3-2-13(12)25-6-11-8-26-9-17-11/h4,8-9,12-13H,2-3,5-7H2,1H3,(H,18,21)(H,19,22,23)/t12-,13+/m1/s1
InChIKeyRJAOQLQZUZQLMG-OLZOCXBDSA-N
XLogP-0.21
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91788892
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91769713
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91762804
1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide
CID 91779011
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91774352
N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-3-thiophen-3-ylpropanamide
CID 91788550
2-[(3S,4R)-3-[[2-(1,3-thiazol-4-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 133268723
2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide
CID 91788245
5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide
CID 91779561
1-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-2-carboxamide
CID 91795007
(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine
CID 91765709

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide (CID 91794603) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide is Cc1cn(CC(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide?
The InChIKey is RJAOQLQZUZQLMG-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-10-4-20(16(23)19-15(10)22)5-14(21)18-12-7-24-3-2-13(12)25-6-11-8-26-9-17-11/h4,8-9,12-13H,2-3,5-7H2,1H3,(H,18,21)(H,19,22,23)/t12-,13+/m1/s1.
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide has a molecular weight of 380.43 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 91794603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).