3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide

C12H15N5O2S — CID 103380109

IUPAC3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCc1ccc(OC)nc1
InChIInChI=1S/C12H15N5O2S/c1-14-11(18)9-10(13)17-20-12(9)16-6-7-3-4-8(19-2)15-5-7/h3-5,16H,6H2,1-2H3,(H2,13,17)(H,14,18)
InChIKeyPPHZMAUWZIRQOU-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.10
Rot. Bonds5

About 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103380109) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103380109
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCc1ccc(OC)nc1
InChIInChI=1S/C12H15N5O2S/c1-14-11(18)9-10(13)17-20-12(9)16-6-7-3-4-8(19-2)15-5-7/h3-5,16H,6H2,1-2H3,(H2,13,17)(H,14,18)
InChIKeyPPHZMAUWZIRQOU-UHFFFAOYSA-N
XLogP1.10
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380100
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide
CID 114936579
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
2-amino-6-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 81394680
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103526272
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103380109) is 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCc1ccc(OC)nc1.
What is the InChIKey of 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is PPHZMAUWZIRQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-14-11(18)9-10(13)17-20-12(9)16-6-7-3-4-8(19-2)15-5-7/h3-5,16H,6H2,1-2H3,(H2,13,17)(H,14,18).
What are the key properties of 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).