N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H15N3O3S2 — CID 126470221

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC(C)(C)CO
InChIInChI=1S/C12H15N3O3S2/c1-12(2,6-16)14-8(17)7-9(19-3)13-11-15(10(7)18)4-5-20-11/h4-5,16H,6H2,1-3H3,(H,14,17)
InChIKeyDUAMIGKLRDXQBU-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.98
Rot. Bonds4

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

N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470221) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470221
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC(C)(C)CO
InChIInChI=1S/C12H15N3O3S2/c1-12(2,6-16)14-8(17)7-9(19-3)13-11-15(10(7)18)4-5-20-11/h4-5,16H,6H2,1-3H3,(H,14,17)
InChIKeyDUAMIGKLRDXQBU-UHFFFAOYSA-N
XLogP0.98
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470221) is N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1nc2sccn2c(=O)c1C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DUAMIGKLRDXQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-12(2,6-16)14-8(17)7-9(19-3)13-11-15(10(7)18)4-5-20-11/h4-5,16H,6H2,1-3H3,(H,14,17).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).