7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C12H17N3O3S2 — CID 6625010

IUPAC7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C12H17N3O3S2/c1-8(2)4-5-13-20(17,18)10-9(3)14-12-15(11(10)16)6-7-19-12/h6-8,13H,4-5H2,1-3H3
InChIKeyMKANPNHVOZXIBX-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.39
Rot. Bonds5

About 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 6625010) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID6625010
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C12H17N3O3S2/c1-8(2)4-5-13-20(17,18)10-9(3)14-12-15(11(10)16)6-7-19-12/h6-8,13H,4-5H2,1-3H3
InChIKeyMKANPNHVOZXIBX-UHFFFAOYSA-N
XLogP1.39
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 6625010) is 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2sccn2c(=O)c1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is MKANPNHVOZXIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-8(2)4-5-13-20(17,18)10-9(3)14-12-15(11(10)16)6-7-19-12/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 6625010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).