N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

C18H17N3O3S — CID 17465652

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
SMILESNC(=O)Cc1csc(NC(=O)CCc2ccc(-c3ccccc3)o2)n1
InChIInChI=1S/C18H17N3O3S/c19-16(22)10-13-11-25-18(20-13)21-17(23)9-7-14-6-8-15(24-14)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H2,19,22)(H,20,21,23)
InChIKeyWHIVNBVMRYCKKH-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.00
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 17465652) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID17465652
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
SMILESNC(=O)Cc1csc(NC(=O)CCc2ccc(-c3ccccc3)o2)n1
InChIInChI=1S/C18H17N3O3S/c19-16(22)10-13-11-25-18(20-13)21-17(23)9-7-14-6-8-15(24-14)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H2,19,22)(H,20,21,23)
InChIKeyWHIVNBVMRYCKKH-UHFFFAOYSA-N
XLogP3.00
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (CID 17465652) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is NC(=O)Cc1csc(NC(=O)CCc2ccc(-c3ccccc3)o2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is WHIVNBVMRYCKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-16(22)10-13-11-25-18(20-13)21-17(23)9-7-14-6-8-15(24-14)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H2,19,22)(H,20,21,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 355.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 17465652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).