N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide

C11H11N3OS — CID 170584451

IUPACN-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide
SMILESCc1ncsc1-c1ccc(CNC=O)cn1
InChIInChI=1S/C11H11N3OS/c1-8-11(16-7-14-8)10-3-2-9(5-13-10)4-12-6-15/h2-3,5-7H,4H2,1H3,(H,12,15)
InChIKeyFXAZNODYRXYXFU-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.76
Rot. Bonds4

About N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide

N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide (PubChem CID 170584451) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide
PubChem CID170584451
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide
SMILESCc1ncsc1-c1ccc(CNC=O)cn1
InChIInChI=1S/C11H11N3OS/c1-8-11(16-7-14-8)10-3-2-9(5-13-10)4-12-6-15/h2-3,5-7H,4H2,1H3,(H,12,15)
InChIKeyFXAZNODYRXYXFU-UHFFFAOYSA-N
XLogP1.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide
CID 163400924
2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
CID 171072768
ethane;1-(3-hydroxypyrrolidin-1-yl)propan-1-one;2-methylpropane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
CID 154679019
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
N-[[6-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]methyl]formamide
CID 145277757
ethane;2-(ethylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-methylpropane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
CID 166540468
2-cyclopropyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;ethane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
CID 156754353
methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
CID 175819788
6-(4-methyl-1,3-thiazol-5-yl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 110111087
N-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methyl]formamide
CID 156802697
1-(3-hydroxypyrrolidin-1-yl)-3-methyl-3-sulfanylbutan-1-one;N-methylacetamide;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
CID 170568688

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide?
The IUPAC name of N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide (CID 170584451) is N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide is Cc1ncsc1-c1ccc(CNC=O)cn1.
What is the InChIKey of N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide?
The InChIKey is FXAZNODYRXYXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-11(16-7-14-8)10-3-2-9(5-13-10)4-12-6-15/h2-3,5-7H,4H2,1H3,(H,12,15).
What are the key properties of N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide?
N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide has a molecular weight of 233.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide is sourced from PubChem (CID 170584451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).