N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C17H21N5O2S — CID 140903418

IUPACN-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(CN(C)c3ccn(C)c3)cc(=O)n12
InChIInChI=1S/C17H21N5O2S/c1-5-18-16(24)15-11(2)25-17-19-12(8-14(23)22(15)17)9-21(4)13-6-7-20(3)10-13/h6-8,10H,5,9H2,1-4H3,(H,18,24)
InChIKeyBGQPTAXDNFGHEZ-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.79
Rot. Bonds5

About N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 140903418) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID140903418
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(CN(C)c3ccn(C)c3)cc(=O)n12
InChIInChI=1S/C17H21N5O2S/c1-5-18-16(24)15-11(2)25-17-19-12(8-14(23)22(15)17)9-21(4)13-6-7-20(3)10-13/h6-8,10H,5,9H2,1-4H3,(H,18,24)
InChIKeyBGQPTAXDNFGHEZ-UHFFFAOYSA-N
XLogP1.79
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 140903418) is N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(CN(C)c3ccn(C)c3)cc(=O)n12.
What is the InChIKey of N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is BGQPTAXDNFGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-5-18-16(24)15-11(2)25-17-19-12(8-14(23)22(15)17)9-21(4)13-6-7-20(3)10-13/h6-8,10H,5,9H2,1-4H3,(H,18,24).
What are the key properties of N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-7-[[methyl-(1-methylpyrrol-3-yl)amino]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140903418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).