N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H19N3O2S — CID 47109097

IUPACN-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C14H19N3O2S/c1-9-2-4-10(5-3-9)16-12(18)11-8-15-14-17(13(11)19)6-7-20-14/h8-10H,2-7H2,1H3,(H,16,18)
InChIKeyGJEKBANYYWVDPN-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.66
Rot. Bonds2

About N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 47109097) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID47109097
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C14H19N3O2S/c1-9-2-4-10(5-3-9)16-12(18)11-8-15-14-17(13(11)19)6-7-20-14/h8-10H,2-7H2,1H3,(H,16,18)
InChIKeyGJEKBANYYWVDPN-UHFFFAOYSA-N
XLogP1.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 47109097) is N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GJEKBANYYWVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-2-4-10(5-3-9)16-12(18)11-8-15-14-17(13(11)19)6-7-20-14/h8-10H,2-7H2,1H3,(H,16,18).
What are the key properties of N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 47109097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).