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

C13H19N3O3S — CID 61039904

IUPACN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H19N3O3S/c1-9(2)15(4-3-6-17)11(18)10-8-14-13-16(12(10)19)5-7-20-13/h8-9,17H,3-7H2,1-2H3
InChIKeyLOBPLDHIPCJHKS-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.58
Rot. Bonds5

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

N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 61039904) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID61039904
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H19N3O3S/c1-9(2)15(4-3-6-17)11(18)10-8-14-13-16(12(10)19)5-7-20-13/h8-9,17H,3-7H2,1-2H3
InChIKeyLOBPLDHIPCJHKS-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 61039904) is N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)N(CCCO)C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LOBPLDHIPCJHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(2)15(4-3-6-17)11(18)10-8-14-13-16(12(10)19)5-7-20-13/h8-9,17H,3-7H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5-oxo-N-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 61039904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).