N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O3S2 — CID 126469160

IUPACN-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H17N3O3S2/c1-21-12-10(13(20)17-6-7-22-14(17)16-12)11(19)15-8-2-4-9(18)5-3-8/h6-9,18H,2-5H2,1H3,(H,15,19)
InChIKeyRTCYAQRIXVYFNK-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.51
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469160) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469160
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H17N3O3S2/c1-21-12-10(13(20)17-6-7-22-14(17)16-12)11(19)15-8-2-4-9(18)5-3-8/h6-9,18H,2-5H2,1H3,(H,15,19)
InChIKeyRTCYAQRIXVYFNK-UHFFFAOYSA-N
XLogP1.51
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469160) is N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1nc2sccn2c(=O)c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RTCYAQRIXVYFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-21-12-10(13(20)17-6-7-22-14(17)16-12)11(19)15-8-2-4-9(18)5-3-8/h6-9,18H,2-5H2,1H3,(H,15,19).
What are the key properties of N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).