N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

C13H11N3OS — CID 2901964

IUPACN-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1coc(CNc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(17-7-1)8-15-13-16-12(9-18-13)10-3-5-14-6-4-10/h1-7,9H,8H2,(H,15,16)
InChIKeyNVBNLWGCRFMOIU-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 2901964) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID2901964
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1coc(CNc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(17-7-1)8-15-13-16-12(9-18-13)10-3-5-14-6-4-10/h1-7,9H,8H2,(H,15,16)
InChIKeyNVBNLWGCRFMOIU-UHFFFAOYSA-N
XLogP3.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436767
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-furancarboxamide
CID 2466262
Sipagladenant
CID 23144148
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
N-(2-furylmethyl)-N'-(3-methyl-2-pyridinyl)thiourea
CID 2981748
4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
2-(furan-2-yl)-5-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145971923
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-furan-2-ylmethyl-amine
CID 646758
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
Furan-2-ylmethyl-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amine
CID 652138

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 2901964) is N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is c1coc(CNc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is NVBNLWGCRFMOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-11(17-7-1)8-15-13-16-12(9-18-13)10-3-5-14-6-4-10/h1-7,9H,8H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2901964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).