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

C18H21N5OS — CID 59250509

IUPACN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide
SMILESCCc1cnc(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1
InChIInChI=1S/C18H21N5OS/c1-3-13-10-21-15(11-20-13)16(24)22-14-6-4-5-12(9-14)18(2)7-8-25-17(19)23-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,19,23)(H,22,24)/t18-/m0/s1
InChIKeyBLJFWWVEEBSNPM-SFHVURJKSA-N
MW355.47 g/mol
LogP2.96
Rot. Bonds4

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

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide (PubChem CID 59250509) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide
PubChem CID59250509
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide
SMILESCCc1cnc(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1
InChIInChI=1S/C18H21N5OS/c1-3-13-10-21-15(11-20-13)16(24)22-14-6-4-5-12(9-14)18(2)7-8-25-17(19)23-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,19,23)(H,22,24)/t18-/m0/s1
InChIKeyBLJFWWVEEBSNPM-SFHVURJKSA-N
XLogP2.96
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide
CID 71083474
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 59250975
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-(propan-2-ylideneamino)oxypyrazine-2-carboxamide
CID 59250305
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-(2-amino-2-oxoethoxy)pyridine-2-carboxamide
CID 59250921
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-1-chloropyrrole-2-carboxamide
CID 71083457
2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-1-(5-pentylpyrazin-2-yl)ethanone
CID 147418935
1-[5-(4-aminobutyl)pyrazin-2-yl]-2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]ethanone
CID 160999318
N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
CID 59250351
4-[3-(benzylamino)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 169423891
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4,5-difluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68943180
ethyl 3-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]prop-2-enoate
CID 76629815
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide (CID 59250509) is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide is CCc1cnc(C(=O)Nc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide?
The InChIKey is BLJFWWVEEBSNPM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-3-13-10-21-15(11-20-13)16(24)22-14-6-4-5-12(9-14)18(2)7-8-25-17(19)23-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,19,23)(H,22,24)/t18-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 2.96, 4 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]phenyl]-5-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 59250509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).