5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

C17H15ClN2O3S — CID 39768846

IUPAC5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)o3)n2)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-2-9-22-12-5-3-11(4-6-12)13-10-24-17(19-13)20-16(21)14-7-8-15(18)23-14/h3-8,10H,2,9H2,1H3,(H,19,20,21)
InChIKeyFVTLKPQRYVUBGO-UHFFFAOYSA-N
MW362.84 g/mol
LogP5.10
Rot. Bonds6

About 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 39768846) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID39768846
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)o3)n2)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-2-9-22-12-5-3-11(4-6-12)13-10-24-17(19-13)20-16(21)14-7-8-15(18)23-14/h3-8,10H,2,9H2,1H3,(H,19,20,21)
InChIKeyFVTLKPQRYVUBGO-UHFFFAOYSA-N
XLogP5.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.84
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888378
2,3-dichloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550460
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
4-ethylsulfanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41044361
2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 42111320
2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4591779
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550455

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 39768846) is 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is CCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)o3)n2)cc1.
What is the InChIKey of 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is FVTLKPQRYVUBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-2-9-22-12-5-3-11(4-6-12)13-10-24-17(19-13)20-16(21)14-7-8-15(18)23-14/h3-8,10H,2,9H2,1H3,(H,19,20,21).
What are the key properties of 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 39768846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).