3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide

C12H14N4OS — CID 104742351

IUPAC3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCc1ncsc1CN(C)C(=O)c1ncccc1N
InChIInChI=1S/C12H14N4OS/c1-8-10(18-7-15-8)6-16(2)12(17)11-9(13)4-3-5-14-11/h3-5,7H,6,13H2,1-2H3
InChIKeyYWLQTHOEXBHYDT-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide

3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 104742351) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
PubChem CID104742351
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCc1ncsc1CN(C)C(=O)c1ncccc1N
InChIInChI=1S/C12H14N4OS/c1-8-10(18-7-15-8)6-16(2)12(17)11-9(13)4-3-5-14-11/h3-5,7H,6,13H2,1-2H3
InChIKeyYWLQTHOEXBHYDT-UHFFFAOYSA-N
XLogP1.70
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276
3-amino-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741078
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 82832587
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 63837965
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide (CID 104742351) is 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide is Cc1ncsc1CN(C)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide?
The InChIKey is YWLQTHOEXBHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-10(18-7-15-8)6-16(2)12(17)11-9(13)4-3-5-14-11/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide?
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 104742351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).