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

C13H16N4OS — CID 107338553

IUPAC2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cc2ccc(N)cn2)cs1
InChIInChI=1S/C13H16N4OS/c1-9-16-12(8-19-9)7-17(2)13(18)5-11-4-3-10(14)6-15-11/h3-4,6,8H,5,7,14H2,1-2H3
InChIKeyBPITULOIGMGVRY-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.63
Rot. Bonds4

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

2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 107338553) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID107338553
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cc2ccc(N)cn2)cs1
InChIInChI=1S/C13H16N4OS/c1-9-16-12(8-19-9)7-17(2)13(18)5-11-4-3-10(14)6-15-11/h3-4,6,8H,5,7,14H2,1-2H3
InChIKeyBPITULOIGMGVRY-UHFFFAOYSA-N
XLogP1.63
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 107338022
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120617349
2-(5-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 107337647
2-(2-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718185
2-(5-amino-2-pyridinyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 107339049
2-(3-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718186
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
2-(5-amino-2-pyridinyl)-N-methyl-N-pent-4-enylacetamide
CID 107339694
2-(4-fluorophenoxy)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718196
6-amino-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62160527
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 107338553) is 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)Cc2ccc(N)cn2)cs1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is BPITULOIGMGVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-16-12(8-19-9)7-17(2)13(18)5-11-4-3-10(14)6-15-11/h3-4,6,8H,5,7,14H2,1-2H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 276.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 107338553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).