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

C17H19FN4OS2 — CID 59250330

IUPACN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c([C@]3(C)CCSC(N)=N3)c2)s1
InChIInChI=1S/C17H19FN4OS2/c1-9-14(25-10(2)20-9)15(23)21-11-4-5-13(18)12(8-11)17(3)6-7-24-16(19)22-17/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,23)/t17-/m0/s1
InChIKeyMJQLZWQVGABNFN-KRWDZBQOSA-N
MW378.50 g/mol
LogP3.82
Rot. Bonds3

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

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 59250330) has the molecular formula C17H19FN4OS2 and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID59250330
Molecular FormulaC17H19FN4OS2
Molecular Weight378.50 g/mol
Exact Mass378.10
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c([C@]3(C)CCSC(N)=N3)c2)s1
InChIInChI=1S/C17H19FN4OS2/c1-9-14(25-10(2)20-9)15(23)21-11-4-5-13(18)12(8-11)17(3)6-7-24-16(19)22-17/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,23)/t17-/m0/s1
InChIKeyMJQLZWQVGABNFN-KRWDZBQOSA-N
XLogP3.82
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 59250330) is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(F)c([C@]3(C)CCSC(N)=N3)c2)s1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MJQLZWQVGABNFN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19FN4OS2/c1-9-14(25-10(2)20-9)15(23)21-11-4-5-13(18)12(8-11)17(3)6-7-24-16(19)22-17/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,23)/t17-/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]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59250330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).