N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide

C19H19FN6OS — CID 59250951

IUPACN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1cn2cc(C(=O)Nc3ccc(F)c([C@]4(C)CCSC(N)=N4)c3)ncc2n1
InChIInChI=1S/C19H19FN6OS/c1-11-9-26-10-15(22-8-16(26)23-11)17(27)24-12-3-4-14(20)13(7-12)19(2)5-6-28-18(21)25-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,24,27)/t19-/m0/s1
InChIKeyYCMKBHZLNZFGCA-IBGZPJMESA-N
MW398.47 g/mol
LogP3.10
Rot. Bonds3

About N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 59250951) has the molecular formula C19H19FN6OS and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID59250951
Molecular FormulaC19H19FN6OS
Molecular Weight398.47 g/mol
Exact Mass398.13
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1cn2cc(C(=O)Nc3ccc(F)c([C@]4(C)CCSC(N)=N4)c3)ncc2n1
InChIInChI=1S/C19H19FN6OS/c1-11-9-26-10-15(22-8-16(26)23-11)17(27)24-12-3-4-14(20)13(7-12)19(2)5-6-28-18(21)25-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,24,27)/t19-/m0/s1
InChIKeyYCMKBHZLNZFGCA-IBGZPJMESA-N
XLogP3.10
TPSA97.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide (CID 59250951) is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide is Cc1cn2cc(C(=O)Nc3ccc(F)c([C@]4(C)CCSC(N)=N4)c3)ncc2n1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is YCMKBHZLNZFGCA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19FN6OS/c1-11-9-26-10-15(22-8-16(26)23-11)17(27)24-12-3-4-14(20)13(7-12)19(2)5-6-28-18(21)25-19/h3-4,7-10H,5-6H2,1-2H3,(H2,21,25)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 59250951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).