5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

C17H15N3O5S — CID 127049733

IUPAC5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCC(C)Oc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1
InChIInChI=1S/C17H15N3O5S/c1-10(2)24-12-5-3-4-11(8-12)13-9-26-17(18-13)19-16(21)14-6-7-15(25-14)20(22)23/h3-10H,1-2H3,(H,18,19,21)
InChIKeyHJTZAGXRVSGSAM-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.35
Rot. Bonds6

About 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 127049733) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID127049733
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCC(C)Oc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1
InChIInChI=1S/C17H15N3O5S/c1-10(2)24-12-5-3-4-11(8-12)13-9-26-17(18-13)19-16(21)14-6-7-15(25-14)20(22)23/h3-10H,1-2H3,(H,18,19,21)
InChIKeyHJTZAGXRVSGSAM-UHFFFAOYSA-N
XLogP4.35
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-[4-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 127048416
5-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1247348
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2323203
2-methyl-3-nitro-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19197461
[(2S)-1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 2097285
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 16804300
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 16850297
4-(3-nitrophenyl)-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110340829
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
(2S)-2-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 2384514
[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 42982418

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 127049733) is 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is CC(C)Oc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1.
What is the InChIKey of 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is HJTZAGXRVSGSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-10(2)24-12-5-3-4-11(8-12)13-9-26-17(18-13)19-16(21)14-6-7-15(25-14)20(22)23/h3-10H,1-2H3,(H,18,19,21).
What are the key properties of 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 127049733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).