N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide

C12H15N5O3S — CID 44782686

IUPACN-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide
SMILESCC(=O)NCCNC(=O)CNc1cnc2sccn2c1=O
InChIInChI=1S/C12H15N5O3S/c1-8(18)13-2-3-14-10(19)7-15-9-6-16-12-17(11(9)20)4-5-21-12/h4-6,15H,2-3,7H2,1H3,(H,13,18)(H,14,19)
InChIKeyLPIYCZDOIQKBNW-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.58
Rot. Bonds6

About N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide

N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide (PubChem CID 44782686) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide
PubChem CID44782686
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide
SMILESCC(=O)NCCNC(=O)CNc1cnc2sccn2c1=O
InChIInChI=1S/C12H15N5O3S/c1-8(18)13-2-3-14-10(19)7-15-9-6-16-12-17(11(9)20)4-5-21-12/h4-6,15H,2-3,7H2,1H3,(H,13,18)(H,14,19)
InChIKeyLPIYCZDOIQKBNW-UHFFFAOYSA-N
XLogP-0.58
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)propionamide
CID 16933444
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
N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4193341
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
N-[2-(diethylamino)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363958
1-(((2Z)-3-methyl-2-(methylimino)-2,3-dihydro-1,3-thiazol-4-yl)methyl)-2-piperazinone
CID 23131101
3-Acetyl-6-(methylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 54400945
N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009170
7-(chloromethyl)-N-ethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009656
5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 140733512

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide (CID 44782686) is N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide is CC(=O)NCCNC(=O)CNc1cnc2sccn2c1=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide?
The InChIKey is LPIYCZDOIQKBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8(18)13-2-3-14-10(19)7-15-9-6-16-12-17(11(9)20)4-5-21-12/h4-6,15H,2-3,7H2,1H3,(H,13,18)(H,14,19).
What are the key properties of N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide?
N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide has a molecular weight of 309.35 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide is sourced from PubChem (CID 44782686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).