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

C16H20N6OS — CID 59250312

IUPACN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cncc([C@]3(C)CCSC(N)=N3)c2)n(C)n1
InChIInChI=1S/C16H20N6OS/c1-10-6-13(22(3)21-10)14(23)19-12-7-11(8-18-9-12)16(2)4-5-24-15(17)20-16/h6-9H,4-5H2,1-3H3,(H2,17,20)(H,19,23)/t16-/m0/s1
InChIKeyQRXCWALNLHMPQK-INIZCTEOSA-N
MW344.44 g/mol
LogP2.04
Rot. Bonds3

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

N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 59250312) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID59250312
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cncc([C@]3(C)CCSC(N)=N3)c2)n(C)n1
InChIInChI=1S/C16H20N6OS/c1-10-6-13(22(3)21-10)14(23)19-12-7-11(8-18-9-12)16(2)4-5-24-15(17)20-16/h6-9H,4-5H2,1-3H3,(H2,17,20)(H,19,23)/t16-/m0/s1
InChIKeyQRXCWALNLHMPQK-INIZCTEOSA-N
XLogP2.04
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide (CID 59250312) is N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cncc([C@]3(C)CCSC(N)=N3)c2)n(C)n1.
What is the InChIKey of N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QRXCWALNLHMPQK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10-6-13(22(3)21-10)14(23)19-12-7-11(8-18-9-12)16(2)4-5-24-15(17)20-16/h6-9H,4-5H2,1-3H3,(H2,17,20)(H,19,23)/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]-2,5-dimethylpyrazole-3-carboxamide?
N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 59250312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).