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

C14H15F2N3O2S — CID 154737873

IUPACN-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC3CCC(F)(F)CC3)c(=O)n12
InChIInChI=1S/C14H15F2N3O2S/c1-8-7-22-13-17-6-10(12(21)19(8)13)11(20)18-9-2-4-14(15,16)5-3-9/h6-7,9H,2-5H2,1H3,(H,18,20)
InChIKeyGHLGACLWLZUWJB-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.37
Rot. Bonds2

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

N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 154737873) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID154737873
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC NameN-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC3CCC(F)(F)CC3)c(=O)n12
InChIInChI=1S/C14H15F2N3O2S/c1-8-7-22-13-17-6-10(12(21)19(8)13)11(20)18-9-2-4-14(15,16)5-3-9/h6-7,9H,2-5H2,1H3,(H,18,20)
InChIKeyGHLGACLWLZUWJB-UHFFFAOYSA-N
XLogP2.37
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853303
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-N-cyclohexyl-5-oxo-
CID 4084303
N-cyclohexyl-7-hydroxy-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853354
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45823634
N-[2-(3,3-difluorocyclopentyl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167889745
N,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3419989
N-cyclopentyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3597684
N-isopropyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4143238
N-cyclopentyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4338624
N-cyclohexyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4564512
N-(1-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248299
N-isobutyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248319

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 154737873) is N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NC3CCC(F)(F)CC3)c(=O)n12.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GHLGACLWLZUWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-8-7-22-13-17-6-10(12(21)19(8)13)11(20)18-9-2-4-14(15,16)5-3-9/h6-7,9H,2-5H2,1H3,(H,18,20).
What are the key properties of N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 154737873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).