5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C25H24ClFN4O2S — CID 42830184

IUPAC5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2ccccc2Cl)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1
InChIInChI=1S/C25H24ClFN4O2S/c1-15-22(24(33)30(2)3)23(19-6-4-5-7-20(19)26)31-18(14-34-25(31)29-15)12-21(32)28-13-16-8-10-17(27)11-9-16/h4-11,14,23H,12-13H2,1-3H3,(H,28,32)
InChIKeyVHTLUCXZYLOSCD-UHFFFAOYSA-N
MW499.01 g/mol
LogP4.85
Rot. Bonds6

About 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42830184) has the molecular formula C25H24ClFN4O2S and a molecular weight of 499.01 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42830184
Molecular FormulaC25H24ClFN4O2S
Molecular Weight499.01 g/mol
Exact Mass498.13
IUPAC Name5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2ccccc2Cl)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1
InChIInChI=1S/C25H24ClFN4O2S/c1-15-22(24(33)30(2)3)23(19-6-4-5-7-20(19)26)31-18(14-34-25(31)29-15)12-21(32)28-13-16-8-10-17(27)11-9-16/h4-11,14,23H,12-13H2,1-3H3,(H,28,32)
InChIKeyVHTLUCXZYLOSCD-UHFFFAOYSA-N
XLogP4.85
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.01
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-4-chlorobenzamide
CID 135521506
Methyl 5-(2-chlorophenyl)-3-({[(3-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CID 46112293
N-(2-chlorobenzyl)-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4067113
2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 4297303
Methyl 5-(2-chlorophenyl)-3-({[(2-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
CID 46112297
N-[(2-chlorophenyl)methyl]-2-{6-methyl-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
CID 16868081
N-[(2-chlorophenyl)methyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893002
5-(4-Fluorophenyl)-7-methyl-3-{[(2-methylpropyl)carbamoyl]methyl}-N-phenyl-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 45994531
3-[2-(ethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45994533
3-[(Benzylcarbamoyl)methyl]-N,N-diethyl-5-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 45995008
(E)-3-(2-chlorophenyl)-1-[7-[(E)-2-(2-chlorophenyl)vinyl]-3-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidin-6-yl]prop-2-en-1-one
CID 70696929
N-(4-amino-2-((2-((2-chlorobenzyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135521504

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42830184) is 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)N(C)C)C(c2ccccc2Cl)N2C(CC(=O)NCc3ccc(F)cc3)=CSC2=N1.
What is the InChIKey of 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VHTLUCXZYLOSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O2S/c1-15-22(24(33)30(2)3)23(19-6-4-5-7-20(19)26)31-18(14-34-25(31)29-15)12-21(32)28-13-16-8-10-17(27)11-9-16/h4-11,14,23H,12-13H2,1-3H3,(H,28,32).
What are the key properties of 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 499.01 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N,N,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42830184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).