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

C16H18N4OS2 — CID 59250348

IUPACN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cncc([C@]2(C)CCSC(N)=N2)c1
InChIInChI=1S/C16H18N4OS2/c1-10-3-5-22-13(10)14(21)19-12-7-11(8-18-9-12)16(2)4-6-23-15(17)20-16/h3,5,7-9H,4,6H2,1-2H3,(H2,17,20)(H,19,21)/t16-/m0/s1
InChIKeyWABISOXCAZKVQB-INIZCTEOSA-N
MW346.48 g/mol
LogP3.37
Rot. Bonds3

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

N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide (PubChem CID 59250348) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide
PubChem CID59250348
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cncc([C@]2(C)CCSC(N)=N2)c1
InChIInChI=1S/C16H18N4OS2/c1-10-3-5-22-13(10)14(21)19-12-7-11(8-18-9-12)16(2)4-6-23-15(17)20-16/h3,5,7-9H,4,6H2,1-2H3,(H2,17,20)(H,19,21)/t16-/m0/s1
InChIKeyWABISOXCAZKVQB-INIZCTEOSA-N
XLogP3.37
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide (CID 59250348) is N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cncc([C@]2(C)CCSC(N)=N2)c1.
What is the InChIKey of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide?
The InChIKey is WABISOXCAZKVQB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-10-3-5-22-13(10)14(21)19-12-7-11(8-18-9-12)16(2)4-6-23-15(17)20-16/h3,5,7-9H,4,6H2,1-2H3,(H2,17,20)(H,19,21)/t16-/m0/s1.
What are the key properties of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide?
N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 59250348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).