N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C17H17ClFN3O2S — CID 90573188

IUPACN-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ccc(F)c(Cl)c1)CS2
InChIInChI=1S/C17H17ClFN3O2S/c1-3-12-9(2)20-17-22(16(12)24)7-10(8-25-17)15(23)21-11-4-5-14(19)13(18)6-11/h4-6,10H,3,7-8H2,1-2H3,(H,21,23)
InChIKeyLVAARQWIZMEMQF-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.27
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573188) has the molecular formula C17H17ClFN3O2S and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573188
Molecular FormulaC17H17ClFN3O2S
Molecular Weight381.86 g/mol
Exact Mass381.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ccc(F)c(Cl)c1)CS2
InChIInChI=1S/C17H17ClFN3O2S/c1-3-12-9(2)20-17-22(16(12)24)7-10(8-25-17)15(23)21-11-4-5-14(19)13(18)6-11/h4-6,10H,3,7-8H2,1-2H3,(H,21,23)
InChIKeyLVAARQWIZMEMQF-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573140
7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573134
7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572993
7-ethyl-8-methyl-6-oxo-N-pyridin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573222
N-(2,4-dimethoxyphenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573196
7-ethyl-8-methyl-N-(2-methyl-4-nitrophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573207
7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802353
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573287
(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105551
8-tert-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572863
7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573011
N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573006

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573188) is N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ccc(F)c(Cl)c1)CS2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is LVAARQWIZMEMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2S/c1-3-12-9(2)20-17-22(16(12)24)7-10(8-25-17)15(23)21-11-4-5-14(19)13(18)6-11/h4-6,10H,3,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).