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

C11H15N3O3S — CID 23993090

IUPACN-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H15N3O3S/c1-7(6-17-2)13-9(15)8-5-12-11-14(10(8)16)3-4-18-11/h5,7H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyXBNJSNBKOIFTFC-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.11
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 23993090) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID23993090
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H15N3O3S/c1-7(6-17-2)13-9(15)8-5-12-11-14(10(8)16)3-4-18-11/h5,7H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyXBNJSNBKOIFTFC-UHFFFAOYSA-N
XLogP0.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3236322
5-oxo-N-prop-2-enyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4448532
N-butyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3240586
N-(sec-butyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4344057
Morpholine, 4-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379281
5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 155289318
N-(tert-butyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3441785
N-(2-morpholin-4-ylethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4160431
N-isobutyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4169048
N-(3-methoxypropyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4583472
5-oxo-N,N-di(propan-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598504
5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5227429

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 23993090) is N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCC(C)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XBNJSNBKOIFTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7(6-17-2)13-9(15)8-5-12-11-14(10(8)16)3-4-18-11/h5,7H,3-4,6H2,1-2H3,(H,13,15).
What are the key properties of N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 23993090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).