N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide

C16H13N3OS — CID 54046250

IUPACN-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide
SMILESO=CNc1ccccc1Cc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H13N3OS/c20-11-18-14-4-2-1-3-13(14)9-16-19-15(10-21-16)12-5-7-17-8-6-12/h1-8,10-11H,9H2,(H,18,20)
InChIKeyLPUAMLIUQKRMQP-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.36
Rot. Bonds5

About N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide

N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide (PubChem CID 54046250) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide
PubChem CID54046250
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide
SMILESO=CNc1ccccc1Cc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H13N3OS/c20-11-18-14-4-2-1-3-13(14)9-16-19-15(10-21-16)12-5-7-17-8-6-12/h1-8,10-11H,9H2,(H,18,20)
InChIKeyLPUAMLIUQKRMQP-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.36
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

2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817395
N-[2-[(2-formamidophenyl)methyl]phenyl]formamide
CID 54221440
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318268
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
5-chloro-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79826170
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
CID 83130460

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide?
The IUPAC name of N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide (CID 54046250) is N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide.
What is the SMILES notation for N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide?
The canonical SMILES for N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide is O=CNc1ccccc1Cc1nc(-c2ccncc2)cs1.
What is the InChIKey of N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide?
The InChIKey is LPUAMLIUQKRMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-11-18-14-4-2-1-3-13(14)9-16-19-15(10-21-16)12-5-7-17-8-6-12/h1-8,10-11H,9H2,(H,18,20).
What are the key properties of N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide?
N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide has a molecular weight of 295.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide is sourced from PubChem (CID 54046250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).