N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C15H21N3O3S2 — CID 23004602

IUPACN-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H21N3O3S2/c1-10-9-22-15-16-11(2)13(14(19)18(10)15)23(20,21)17(3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3
InChIKeyUVTZCKYVHBLBAN-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.33
Rot. Bonds3

About N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 23004602) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID23004602
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H21N3O3S2/c1-10-9-22-15-16-11(2)13(14(19)18(10)15)23(20,21)17(3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3
InChIKeyUVTZCKYVHBLBAN-UHFFFAOYSA-N
XLogP2.33
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 23004602) is N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is UVTZCKYVHBLBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-10-9-22-15-16-11(2)13(14(19)18(10)15)23(20,21)17(3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 355.49 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,3,7-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 23004602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).