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

C16H16ClN5OS — CID 59250351

IUPACN-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
SMILESC[C@@]1(c2ccnc(NC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1
InChIInChI=1S/C16H16ClN5OS/c1-16(5-7-24-15(18)22-16)10-4-6-19-13(8-10)21-14(23)12-3-2-11(17)9-20-12/h2-4,6,8-9H,5,7H2,1H3,(H2,18,22)(H,19,21,23)/t16-/m0/s1
InChIKeyPFDADZQASMHUKC-INIZCTEOSA-N
MW361.86 g/mol
LogP3.05
Rot. Bonds3

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

N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide (PubChem CID 59250351) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
PubChem CID59250351
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC NameN-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
SMILESC[C@@]1(c2ccnc(NC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1
InChIInChI=1S/C16H16ClN5OS/c1-16(5-7-24-15(18)22-16)10-4-6-19-13(8-10)21-14(23)12-3-2-11(17)9-20-12/h2-4,6,8-9H,5,7H2,1H3,(H2,18,22)(H,19,21,23)/t16-/m0/s1
InChIKeyPFDADZQASMHUKC-INIZCTEOSA-N
XLogP3.05
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-5-methoxyphenyl]-1-(5-chloro-2-pyridinyl)ethanone
CID 58067066
N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride
CID 158598070
2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
CID 159765448
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide
CID 59250509
N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide
CID 59374724
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-(2-amino-2-oxoethoxy)pyridine-2-carboxamide
CID 59250921
5-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-N-methylpyridine-2-carboxamide
CID 58377049
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
CID 143933560
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-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 59570586

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide (CID 59250351) is N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide is C[C@@]1(c2ccnc(NC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1.
What is the InChIKey of N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide?
The InChIKey is PFDADZQASMHUKC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-16(5-7-24-15(18)22-16)10-4-6-19-13(8-10)21-14(23)12-3-2-11(17)9-20-12/h2-4,6,8-9H,5,7H2,1H3,(H2,18,22)(H,19,21,23)/t16-/m0/s1.
What are the key properties of N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide?
N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide has a molecular weight of 361.86 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 59250351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).