2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

C18H17N3O4S — CID 126769239

IUPAC2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccnc(OC2CCOC2)c1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C18H17N3O4S/c22-17(15-11-26-18(21-15)13-2-5-23-9-13)20-8-12-1-4-19-16(7-12)25-14-3-6-24-10-14/h1-2,4-5,7,9,11,14H,3,6,8,10H2,(H,20,22)
InChIKeyQQNIJXRJWRSVQB-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.90
Rot. Bonds6

About 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 126769239) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID126769239
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccnc(OC2CCOC2)c1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C18H17N3O4S/c22-17(15-11-26-18(21-15)13-2-5-23-9-13)20-8-12-1-4-19-16(7-12)25-14-3-6-24-10-14/h1-2,4-5,7,9,11,14H,3,6,8,10H2,(H,20,22)
InChIKeyQQNIJXRJWRSVQB-UHFFFAOYSA-N
XLogP2.90
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
CID 97330579
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119514774
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
2-(furan-3-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111596989
2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977266
2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111484969
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645
2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 121165498
(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
CID 97108645

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (CID 126769239) is 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccnc(OC2CCOC2)c1)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QQNIJXRJWRSVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-17(15-11-26-18(21-15)13-2-5-23-9-13)20-8-12-1-4-19-16(7-12)25-14-3-6-24-10-14/h1-2,4-5,7,9,11,14H,3,6,8,10H2,(H,20,22).
What are the key properties of 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126769239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).