N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide

C10H12N4O2S — CID 8772038

IUPACN-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide
SMILESCNC(=O)CNCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H12N4O2S/c1-11-8(15)6-12-5-7-4-9(16)14-2-3-17-10(14)13-7/h2-4,12H,5-6H2,1H3,(H,11,15)
InChIKeyRXVCDYNBQCUXDX-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.41
Rot. Bonds4

About N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide

N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide (PubChem CID 8772038) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide
PubChem CID8772038
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide
SMILESCNC(=O)CNCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H12N4O2S/c1-11-8(15)6-12-5-7-4-9(16)14-2-3-17-10(14)13-7/h2-4,12H,5-6H2,1H3,(H,11,15)
InChIKeyRXVCDYNBQCUXDX-UHFFFAOYSA-N
XLogP-0.41
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 24761831
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)propionamide
CID 16933444
7-[(Prop-2-ynylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8105669
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butyramide
CID 16933414
2-(difluoromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 153961683
2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 153994651
7-[[3-Aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167882868
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)pivalamide
CID 16933412
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)pentanamide
CID 16933471
2-[Methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]-N-propylacetamide
CID 18166949
7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride
CID 53352301

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide?
The IUPAC name of N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide (CID 8772038) is N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide.
What is the SMILES notation for N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide?
The canonical SMILES for N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide is CNC(=O)CNCc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide?
The InChIKey is RXVCDYNBQCUXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-11-8(15)6-12-5-7-4-9(16)14-2-3-17-10(14)13-7/h2-4,12H,5-6H2,1H3,(H,11,15).
What are the key properties of N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide?
N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide has a molecular weight of 252.30 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide is sourced from PubChem (CID 8772038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).