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

C16H20N6OS — CID 90347039

IUPACN-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnc([C@]3(C)CCSC(N)=N3)c2)n(C)n1
InChIInChI=1S/C16H20N6OS/c1-10-8-12(22(3)21-10)14(23)19-11-4-6-18-13(9-11)16(2)5-7-24-15(17)20-16/h4,6,8-9H,5,7H2,1-3H3,(H2,17,20)(H,18,19,23)/t16-/m0/s1
InChIKeyOPWNSOOUYJFOLK-INIZCTEOSA-N
MW344.44 g/mol
LogP2.04
Rot. Bonds3

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

N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 90347039) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID90347039
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnc([C@]3(C)CCSC(N)=N3)c2)n(C)n1
InChIInChI=1S/C16H20N6OS/c1-10-8-12(22(3)21-10)14(23)19-11-4-6-18-13(9-11)16(2)5-7-24-15(17)20-16/h4,6,8-9H,5,7H2,1-3H3,(H2,17,20)(H,18,19,23)/t16-/m0/s1
InChIKeyOPWNSOOUYJFOLK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide (CID 90347039) is N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccnc([C@]3(C)CCSC(N)=N3)c2)n(C)n1.
What is the InChIKey of N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OPWNSOOUYJFOLK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10-8-12(22(3)21-10)14(23)19-11-4-6-18-13(9-11)16(2)5-7-24-15(17)20-16/h4,6,8-9H,5,7H2,1-3H3,(H2,17,20)(H,18,19,23)/t16-/m0/s1.
What are the key properties of N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-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-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 90347039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).