N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C25H33N5O2S — CID 42827773

IUPACN,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C)CC3)N2C1c1ccccc1
InChIInChI=1S/C25H33N5O2S/c1-5-28(6-2)24(32)22-18(3)26-25-30(23(22)19-10-8-7-9-11-19)20(17-33-25)16-21(31)29-14-12-27(4)13-15-29/h7-11,17,23H,5-6,12-16H2,1-4H3
InChIKeyBWNGYVJZBHPBTQ-UHFFFAOYSA-N
MW467.64 g/mol
LogP3.29
Rot. Bonds6

About N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42827773) has the molecular formula C25H33N5O2S and a molecular weight of 467.64 g/mol. Its IUPAC name is N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42827773
Molecular FormulaC25H33N5O2S
Molecular Weight467.64 g/mol
Exact Mass467.24
IUPAC NameN,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C)CC3)N2C1c1ccccc1
InChIInChI=1S/C25H33N5O2S/c1-5-28(6-2)24(32)22-18(3)26-25-30(23(22)19-10-8-7-9-11-19)20(17-33-25)16-21(31)29-14-12-27(4)13-15-29/h7-11,17,23H,5-6,12-16H2,1-4H3
InChIKeyBWNGYVJZBHPBTQ-UHFFFAOYSA-N
XLogP3.29
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827770
(5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98357060
ethyl 5-(3-fluorophenyl)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42828082
(5S)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98432290
methyl 3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42882574
7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827568
(5S)-3-[2-(benzylamino)-2-oxoethyl]-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98358434
(5S)-5-(3-methoxyphenyl)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98432046
3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42828662
prop-2-enyl 7-methyl-5-(3-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42828982
ethyl 1-[2-[6-(diethylcarbamoyl)-5-(4-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-3-carboxylate
CID 42828699
(5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98422884

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42827773) is N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C)CC3)N2C1c1ccccc1.
What is the InChIKey of N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BWNGYVJZBHPBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S/c1-5-28(6-2)24(32)22-18(3)26-25-30(23(22)19-10-8-7-9-11-19)20(17-33-25)16-21(31)29-14-12-27(4)13-15-29/h7-11,17,23H,5-6,12-16H2,1-4H3.
What are the key properties of N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42827773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).