N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C14H11N3O4S — CID 71794716

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H11N3O4S/c18-13(9-6-11(21-17-9)10-2-1-4-20-10)16-14-15-8-3-5-19-7-12(8)22-14/h1-2,4,6H,3,5,7H2,(H,15,16,18)
InChIKeySAYGTHHCBSDDHX-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.72
Rot. Bonds3

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 71794716) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID71794716
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H11N3O4S/c18-13(9-6-11(21-17-9)10-2-1-4-20-10)16-14-15-8-3-5-19-7-12(8)22-14/h1-2,4,6H,3,5,7H2,(H,15,16,18)
InChIKeySAYGTHHCBSDDHX-UHFFFAOYSA-N
XLogP2.72
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4,5-bis(2-furyl)thiazol-2-yl]-5-nitro-2-furamide
CID 24818137
5-(furan-2-yl)-N-(4-(pyridin-2-yl)thiazol-2-yl)isoxazole-3-carboxamide
CID 45503793
N-(5-(5-(furan-2-yl)isoxazole-3-carbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)tetrahydrofuran-2-carboxamide
CID 71788009
N-(4-methyl-1,3-thiazol-2-yl)[5-(2-furyl)-3-isoxazolyl]acetamide
CID 30850552
5-(furan-2-yl)-N-(4-(4-nitrothiophen-2-yl)thiazol-2-yl)isoxazole-3-carboxamide
CID 45503797
N-(7-chloro-4-methylbenzo[d]thiazol-2-yl)-5-(furan-2-yl)isoxazole-3-carboxamide
CID 45503827
5-(furan-2-yl)-N-(4-(methylthio)benzo[d]thiazol-2-yl)isoxazole-3-carboxamide
CID 45503845
N-((5-(furan-2-yl)isoxazol-3-yl)methyl)-2-methylthiazole-4-carboxamide
CID 45511757
1-(5-(furan-2-yl)isoxazole-3-carbonyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 49676970
N-(5-(5-cyclopropylisoxazole-3-carbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 56765088
Ethyl (5-(5-(furan-2-yl)isoxazole-3-carbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbamate
CID 71788094
5-(furan-2-yl)-N-(5-(methylsulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)isoxazole-3-carboxamide
CID 71788236

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 71794716) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1nc2c(s1)COCC2)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is SAYGTHHCBSDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-13(9-6-11(21-17-9)10-2-1-4-20-10)16-14-15-8-3-5-19-7-12(8)22-14/h1-2,4,6H,3,5,7H2,(H,15,16,18).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71794716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).