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

C13H17N3O3S — CID 43392912

IUPACN-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H17N3O3S/c17-9-3-1-8(2-4-9)15-11(18)10-7-14-13-16(12(10)19)5-6-20-13/h7-9,17H,1-6H2,(H,15,18)
InChIKeyAXMOMCPNGYTNPT-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.38
Rot. Bonds2

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

N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 43392912) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID43392912
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H17N3O3S/c17-9-3-1-8(2-4-9)15-11(18)10-7-14-13-16(12(10)19)5-6-20-13/h7-9,17H,1-6H2,(H,15,18)
InChIKeyAXMOMCPNGYTNPT-UHFFFAOYSA-N
XLogP0.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-N-cyclohexyl-5-oxo-
CID 4084303
N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469160
N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43393636
N-(4-hydroxycyclohexyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470077
N-(4-hydroxycyclohexyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470484
N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470738
3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470815
3-ethyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471201
5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126668565
6-[2-(Hydroxymethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43421228
N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 44775191
N-(2-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 62360686

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 43392912) is N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCC(O)CC1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AXMOMCPNGYTNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-9-3-1-8(2-4-9)15-11(18)10-7-14-13-16(12(10)19)5-6-20-13/h7-9,17H,1-6H2,(H,15,18).
What are the key properties of N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 43392912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).