N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H23N5O2S — CID 46363973

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN1CCN(CCNC(=O)c2cnc3scc(C)n3c2=O)CC1
InChIInChI=1S/C16H23N5O2S/c1-3-19-6-8-20(9-7-19)5-4-17-14(22)13-10-18-16-21(15(13)23)12(2)11-24-16/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyDKLQRFMOEZPYBK-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.43
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363973) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363973
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN1CCN(CCNC(=O)c2cnc3scc(C)n3c2=O)CC1
InChIInChI=1S/C16H23N5O2S/c1-3-19-6-8-20(9-7-19)5-4-17-14(22)13-10-18-16-21(15(13)23)12(2)11-24-16/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyDKLQRFMOEZPYBK-UHFFFAOYSA-N
XLogP0.43
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363973) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN1CCN(CCNC(=O)c2cnc3scc(C)n3c2=O)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DKLQRFMOEZPYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-19-6-8-20(9-7-19)5-4-17-14(22)13-10-18-16-21(15(13)23)12(2)11-24-16/h10-11H,3-9H2,1-2H3,(H,17,22).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).