N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide

C14H11N3O2S — CID 110317876

IUPACN-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccn2)cs1)c1ccco1
InChIInChI=1S/C14H11N3O2S/c18-14(12-5-3-7-19-12)16-8-13-17-11(9-20-13)10-4-1-2-6-15-10/h1-7,9H,8H2,(H,16,18)
InChIKeyBMQHMRCUWZVSJM-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.73
Rot. Bonds4

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

N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (PubChem CID 110317876) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
PubChem CID110317876
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccn2)cs1)c1ccco1
InChIInChI=1S/C14H11N3O2S/c18-14(12-5-3-7-19-12)16-8-13-17-11(9-20-13)10-4-1-2-6-15-10/h1-7,9H,8H2,(H,16,18)
InChIKeyBMQHMRCUWZVSJM-UHFFFAOYSA-N
XLogP2.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
1-tert-butyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 126837100
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 126837101
2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110317920
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648281
N-[(2-thiophen-2-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 91630312
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (CID 110317876) is N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is O=C(NCc1nc(-c2ccccn2)cs1)c1ccco1.
What is the InChIKey of N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The InChIKey is BMQHMRCUWZVSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-14(12-5-3-7-19-12)16-8-13-17-11(9-20-13)10-4-1-2-6-15-10/h1-7,9H,8H2,(H,16,18).
What are the key properties of N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110317876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).