3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid

C12H13N3O2S — CID 114288707

IUPAC3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
SMILESCc1ncsc1CN(C)c1cnccc1C(=O)O
InChIInChI=1S/C12H13N3O2S/c1-8-11(18-7-14-8)6-15(2)10-5-13-4-3-9(10)12(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeySTNWMSRQOFMWPZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.18
Rot. Bonds4

About 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid

3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid (PubChem CID 114288707) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
PubChem CID114288707
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid
SMILESCc1ncsc1CN(C)c1cnccc1C(=O)O
InChIInChI=1S/C12H13N3O2S/c1-8-11(18-7-14-8)6-15(2)10-5-13-4-3-9(10)12(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeySTNWMSRQOFMWPZ-UHFFFAOYSA-N
XLogP2.18
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 105067467
2-fluoro-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzoic acid
CID 79512320
1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 112677450
3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid
CID 164650911
1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 114065834
3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105062562
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 104540410
3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 114288792
1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone
CID 114068684
[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]methanol
CID 63837123
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685501
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid (CID 114288707) is 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid is Cc1ncsc1CN(C)c1cnccc1C(=O)O.
What is the InChIKey of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid?
The InChIKey is STNWMSRQOFMWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-11(18-7-14-8)6-15(2)10-5-13-4-3-9(10)12(16)17/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid?
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114288707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).