N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H15N3O3S2 — CID 126469535

IUPACN-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1c(SC)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S2/c1-7(6-18-2)13-9(16)8-10(19-3)14-12-15(11(8)17)4-5-20-12/h4-5,7H,6H2,1-3H3,(H,13,16)
InChIKeyCSAPHYJMWSICFO-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.24
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469535) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469535
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1c(SC)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S2/c1-7(6-18-2)13-9(16)8-10(19-3)14-12-15(11(8)17)4-5-20-12/h4-5,7H,6H2,1-3H3,(H,13,16)
InChIKeyCSAPHYJMWSICFO-UHFFFAOYSA-N
XLogP1.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248283
3-methyl-5-oxo-N-(2-sulfanylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 177680073
N-(2-methoxyethyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248323
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
5-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 133817260
N-isopropyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4143238
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274
N-allyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4325016
N-(tert-butyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4389947
N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4429834
N-butyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248280
N-isobutyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248281

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469535) is N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCC(C)NC(=O)c1c(SC)nc2sccn2c1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CSAPHYJMWSICFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-7(6-18-2)13-9(16)8-10(19-3)14-12-15(11(8)17)4-5-20-12/h4-5,7H,6H2,1-3H3,(H,13,16).
What are the key properties of N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).