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

C12H17N5O2S — CID 44782676

IUPACN-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide
SMILESCN(C)CCNC(=O)CNc1cnc2sccn2c1=O
InChIInChI=1S/C12H17N5O2S/c1-16(2)4-3-13-10(18)8-14-9-7-15-12-17(11(9)19)5-6-20-12/h5-7,14H,3-4,8H2,1-2H3,(H,13,18)
InChIKeyILILNIZLUIIXDO-UHFFFAOYSA-N
MW295.37 g/mol
LogP-0.15
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide (PubChem CID 44782676) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide
PubChem CID44782676
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide
SMILESCN(C)CCNC(=O)CNc1cnc2sccn2c1=O
InChIInChI=1S/C12H17N5O2S/c1-16(2)4-3-13-10(18)8-14-9-7-15-12-17(11(9)19)5-6-20-12/h5-7,14H,3-4,8H2,1-2H3,(H,13,18)
InChIKeyILILNIZLUIIXDO-UHFFFAOYSA-N
XLogP-0.15
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-[2-(diethylamino)ethyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363931
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
N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009170
7-[(3-Oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2657086
N-methyl-2-[methyl-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8222560
N,N-diethyl-2-[methyl-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8222859

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide (CID 44782676) is N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide is CN(C)CCNC(=O)CNc1cnc2sccn2c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide?
The InChIKey is ILILNIZLUIIXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-16(2)4-3-13-10(18)8-14-9-7-15-12-17(11(9)19)5-6-20-12/h5-7,14H,3-4,8H2,1-2H3,(H,13,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide has a molecular weight of 295.37 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]acetamide is sourced from PubChem (CID 44782676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).