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

C14H19N3O3S2 — CID 6625813

IUPACN-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H19N3O3S2/c1-10-12(13(18)17-8-9-21-14(17)15-10)22(19,20)16(2)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyBKDUXMNLSRGNKZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.02
Rot. Bonds3

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

N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 6625813) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID6625813
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H19N3O3S2/c1-10-12(13(18)17-8-9-21-14(17)15-10)22(19,20)16(2)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyBKDUXMNLSRGNKZ-UHFFFAOYSA-N
XLogP2.02
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 6625813) is N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2sccn2c(=O)c1S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is BKDUXMNLSRGNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-10-12(13(18)17-8-9-21-14(17)15-10)22(19,20)16(2)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 6625813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).