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

C16H13ClN2O2S — CID 16571962

IUPAC4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3)o2)cs1
InChIInChI=1S/C16H13ClN2O2S/c1-10-19-14(9-22-10)15-7-6-13(21-15)8-18-16(20)11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H,18,20)
InChIKeyBSBVQOPYYDJUAQ-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.29
Rot. Bonds4

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

4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide (PubChem CID 16571962) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
PubChem CID16571962
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3)o2)cs1
InChIInChI=1S/C16H13ClN2O2S/c1-10-19-14(9-22-10)15-7-6-13(21-15)8-18-16(20)11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H,18,20)
InChIKeyBSBVQOPYYDJUAQ-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 18205530
6-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide
CID 17469627
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 35889238
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 30040137
2-butyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 24552864
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24525129
2-(3-fluorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 17398398
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 30854296
4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 25400607
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide (CID 16571962) is 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3)o2)cs1.
What is the InChIKey of 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide?
The InChIKey is BSBVQOPYYDJUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-10-19-14(9-22-10)15-7-6-13(21-15)8-18-16(20)11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide?
4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide has a molecular weight of 332.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide is sourced from PubChem (CID 16571962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).