N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide

C14H11ClN2O2S — CID 25470108

IUPACN-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1
InChIInChI=1S/C14H11ClN2O2S/c1-2-13(18)17-14-16-10(7-20-14)12-6-8-5-9(15)3-4-11(8)19-12/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyCZZGXDKMUXFQIU-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.56
Rot. Bonds3

About N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide

N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 25470108) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID25470108
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC NameN-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1
InChIInChI=1S/C14H11ClN2O2S/c1-2-13(18)17-14-16-10(7-20-14)12-6-8-5-9(15)3-4-11(8)19-12/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyCZZGXDKMUXFQIU-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51513875
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916334
2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916137
4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide
CID 45108453
4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916209
N-[2-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 112799500
4-(5-chloro-1-benzofuran-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
CID 71930204
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 44916333
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 8702470
2-[[5-(5-chloro-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 126363326
1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one
CID 114732079
4-ethylsulfanyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916198

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide (CID 25470108) is N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1.
What is the InChIKey of N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is CZZGXDKMUXFQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-2-13(18)17-14-16-10(7-20-14)12-6-8-5-9(15)3-4-11(8)19-12/h3-7H,2H2,1H3,(H,16,17,18).
What are the key properties of N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide?
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 306.77 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 25470108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).