N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O3S — CID 135853354

IUPACN-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NC3CCCCC3)c(=O)n12
InChIInChI=1S/C14H17N3O3S/c1-8-7-21-14-16-12(19)10(13(20)17(8)14)11(18)15-9-5-3-2-4-6-9/h7,9,19H,2-6H2,1H3,(H,15,18)
InChIKeyMRNHCFBCADXUHI-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.83
Rot. Bonds2

About N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853354) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853354
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NC3CCCCC3)c(=O)n12
InChIInChI=1S/C14H17N3O3S/c1-8-7-21-14-16-12(19)10(13(20)17(8)14)11(18)15-9-5-3-2-4-6-9/h7,9,19H,2-6H2,1H3,(H,15,18)
InChIKeyMRNHCFBCADXUHI-UHFFFAOYSA-N
XLogP1.83
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853354) is N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NC3CCCCC3)c(=O)n12.
What is the InChIKey of N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MRNHCFBCADXUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-7-21-14-16-12(19)10(13(20)17(8)14)11(18)15-9-5-3-2-4-6-9/h7,9,19H,2-6H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).