N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide

C11H11N3OS — CID 100673789

IUPACN-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nccs2)cn1
InChIInChI=1S/C11H11N3OS/c1-8-2-3-9(6-13-8)7-14-10(15)11-12-4-5-16-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyDXTDVVZMGIZAPD-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.78
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide

N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide (PubChem CID 100673789) 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-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide
PubChem CID100673789
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nccs2)cn1
InChIInChI=1S/C11H11N3OS/c1-8-2-3-9(6-13-8)7-14-10(15)11-12-4-5-16-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyDXTDVVZMGIZAPD-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

N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 175935774
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424
5-[(6-methyl-3-pyridinyl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60794533
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381189
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
5-(methylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107375550
2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
CID 115287220
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
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-2-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide (CID 100673789) is N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide is Cc1ccc(CNC(=O)c2nccs2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is DXTDVVZMGIZAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-2-3-9(6-13-8)7-14-10(15)11-12-4-5-16-11/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-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-2-carboxamide is sourced from PubChem (CID 100673789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).