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

C12H15N3O3S2 — CID 126470423

IUPACN-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1c(SC)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S2/c1-3-7(6-16)13-9(17)8-10(19-2)14-12-15(11(8)18)4-5-20-12/h4-5,7,16H,3,6H2,1-2H3,(H,13,17)
InChIKeyKPWKYYYMTKOSRH-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.98
Rot. Bonds5

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

N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470423) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470423
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1c(SC)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S2/c1-3-7(6-16)13-9(17)8-10(19-2)14-12-15(11(8)18)4-5-20-12/h4-5,7,16H,3,6H2,1-2H3,(H,13,17)
InChIKeyKPWKYYYMTKOSRH-UHFFFAOYSA-N
XLogP0.98
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
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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Related Compounds

CID 135853348
CID 135853348
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CID 135853289
CID 135853289
CID 4393836
CID 4393836
CID 135853287
CID 135853287
CID 135853299
CID 135853299
CID 103723005
CID 103723005
CID 103769886
CID 103769886
CID 17248282
CID 17248282
CID 17248285
CID 17248285
CID 17248286
CID 17248286
CID 17248313
CID 17248313

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470423) is N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(CO)NC(=O)c1c(SC)nc2sccn2c1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KPWKYYYMTKOSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-3-7(6-16)13-9(17)8-10(19-2)14-12-15(11(8)18)4-5-20-12/h4-5,7,16H,3,6H2,1-2H3,(H,13,17).
What are the key properties of N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxybutan-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, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).