(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate

C19H22N2O3S — CID 46339736

IUPAC(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate
SMILESCc1cn2c(=O)cc(COC(=O)C34CC5CC(CC(C5)C3)C4)nc2s1
InChIInChI=1S/C19H22N2O3S/c1-11-9-21-16(22)5-15(20-18(21)25-11)10-24-17(23)19-6-12-2-13(7-19)4-14(3-12)8-19/h5,9,12-14H,2-4,6-8,10H2,1H3
InChIKeyDABLDHAKYCTPDG-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.32
Rot. Bonds3

About (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate

(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate (PubChem CID 46339736) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate
PubChem CID46339736
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate
SMILESCc1cn2c(=O)cc(COC(=O)C34CC5CC(CC(C5)C3)C4)nc2s1
InChIInChI=1S/C19H22N2O3S/c1-11-9-21-16(22)5-15(20-18(21)25-11)10-24-17(23)19-6-12-2-13(7-19)4-14(3-12)8-19/h5,9,12-14H,2-4,6-8,10H2,1H3
InChIKeyDABLDHAKYCTPDG-UHFFFAOYSA-N
XLogP3.32
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate
CID 46339749
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7681283
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate
CID 51436225
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 9105686
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (5R,7R)-3-bromoadamantane-1-carboxylate
CID 98292448
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxybenzoate
CID 46339751
7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 146139449
7-[[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 136585971
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 55373239
2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22434125
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888880
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate
CID 46343543

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate?
The IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate (CID 46339736) is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate.
What is the SMILES notation for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate?
The canonical SMILES for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate is Cc1cn2c(=O)cc(COC(=O)C34CC5CC(CC(C5)C3)C4)nc2s1.
What is the InChIKey of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate?
The InChIKey is DABLDHAKYCTPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-11-9-21-16(22)5-15(20-18(21)25-11)10-24-17(23)19-6-12-2-13(7-19)4-14(3-12)8-19/h5,9,12-14H,2-4,6-8,10H2,1H3.
What are the key properties of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate?
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate has a molecular weight of 358.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate is sourced from PubChem (CID 46339736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).