N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C11H11N3OS — CID 175935774

IUPACN-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cncs2)cn1
InChIInChI=1S/C11H11N3OS/c1-8-2-3-9(4-13-8)5-14-11(15)10-6-12-7-16-10/h2-4,6-7H,5H2,1H3,(H,14,15)
InChIKeyFQYPNZFELXTIFE-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.78
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 175935774) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID175935774
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cncs2)cn1
InChIInChI=1S/C11H11N3OS/c1-8-2-3-9(4-13-8)5-14-11(15)10-6-12-7-16-10/h2-4,6-7H,5H2,1H3,(H,14,15)
InChIKeyFQYPNZFELXTIFE-UHFFFAOYSA-N
XLogP1.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60794533
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide
CID 100673789
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424
3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 62989223
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 154355633
5-(methylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107375550
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
4-hydrazinyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 63212635
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 175935774) is N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(CNC(=O)c2cncs2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FQYPNZFELXTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-2-3-9(4-13-8)5-14-11(15)10-6-12-7-16-10/h2-4,6-7H,5H2,1H3,(H,14,15).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175935774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).