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

C11H13N5O2S — CID 103380100

IUPAC3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCOc1cc(CNc2snc(N)c2C(N)=O)ccn1
InChIInChI=1S/C11H13N5O2S/c1-18-7-4-6(2-3-14-7)5-15-11-8(10(13)17)9(12)16-19-11/h2-4,15H,5H2,1H3,(H2,12,16)(H2,13,17)
InChIKeyIAYFJMGIBZXLDU-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.84
Rot. Bonds5

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

3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103380100) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide
PubChem CID103380100
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCOc1cc(CNc2snc(N)c2C(N)=O)ccn1
InChIInChI=1S/C11H13N5O2S/c1-18-7-4-6(2-3-14-7)5-15-11-8(10(13)17)9(12)16-19-11/h2-4,15H,5H2,1H3,(H2,12,16)(H2,13,17)
InChIKeyIAYFJMGIBZXLDU-UHFFFAOYSA-N
XLogP0.84
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380000
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
CID 62990349
3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380109
2-amino-3-fluoro-6-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 83207084
methyl 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzoate
CID 62990167
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116665794
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide (CID 103380100) is 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide is COc1cc(CNc2snc(N)c2C(N)=O)ccn1.
What is the InChIKey of 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is IAYFJMGIBZXLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-18-7-4-6(2-3-14-7)5-15-11-8(10(13)17)9(12)16-19-11/h2-4,15H,5H2,1H3,(H2,12,16)(H2,13,17).
What are the key properties of 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-methoxy-4-pyridinyl)methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).