N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide

C17H17N3O3S — CID 50959187

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCc3csc(N)n3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-22-13-4-2-11(3-5-13)14-6-7-15(23-14)16(21)19-9-8-12-10-24-17(18)20-12/h2-7,10H,8-9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyDYTIFBYZGZDTNO-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 50959187) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID50959187
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCc3csc(N)n3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-22-13-4-2-11(3-5-13)14-6-7-15(23-14)16(21)19-9-8-12-10-24-17(18)20-12/h2-7,10H,8-9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyDYTIFBYZGZDTNO-UHFFFAOYSA-N
XLogP2.97
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
CID 91769969
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65483096
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide (CID 50959187) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(-c2ccc(C(=O)NCCc3csc(N)n3)o2)cc1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is DYTIFBYZGZDTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-13-4-2-11(3-5-13)14-6-7-15(23-14)16(21)19-9-8-12-10-24-17(18)20-12/h2-7,10H,8-9H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 50959187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).