N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide

C16H23N5O2S — CID 9465877

IUPACN,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1csc2nc(CN3CCN(CC(=O)N(C)C)CC3)cc(=O)n12
InChIInChI=1S/C16H23N5O2S/c1-12-11-24-16-17-13(8-14(22)21(12)16)9-19-4-6-20(7-5-19)10-15(23)18(2)3/h8,11H,4-7,9-10H2,1-3H3
InChIKeyWJZCHPNEGRSHAN-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.27
Rot. Bonds4

About N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 9465877) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
PubChem CID9465877
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1csc2nc(CN3CCN(CC(=O)N(C)C)CC3)cc(=O)n12
InChIInChI=1S/C16H23N5O2S/c1-12-11-24-16-17-13(8-14(22)21(12)16)9-19-4-6-20(7-5-19)10-15(23)18(2)3/h8,11H,4-7,9-10H2,1-3H3
InChIKeyWJZCHPNEGRSHAN-UHFFFAOYSA-N
XLogP0.27
TPSA61.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17376148
7-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
7-Methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 6623470
(6-Methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinyl)acetyl azide
CID 12101401
7-[[4-(3-Fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126822473
7-[[3-Oxo-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 132375864
3-Methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9439910
(4S)-4-methyl-6-methylsulfanyl-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 145301951
Ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
CID 2654299
7-[(3-Oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2657086
7-[(4-Ethylpiperazino)methyl]-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 6469928
N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide
CID 7748229

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide (CID 9465877) is N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide is Cc1csc2nc(CN3CCN(CC(=O)N(C)C)CC3)cc(=O)n12.
What is the InChIKey of N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is WJZCHPNEGRSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-11-24-16-17-13(8-14(22)21(12)16)9-19-4-6-20(7-5-19)10-15(23)18(2)3/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9465877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).