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

C16H12Cl2N2OS2 — CID 90546721

IUPAC3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2OS2/c1-9-14(23-16(20-9)13-3-2-6-22-13)8-19-15(21)10-4-5-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,21)
InChIKeyYXDXOOZCKXODHF-UHFFFAOYSA-N
MW383.33 g/mol
LogP5.42
Rot. Bonds4

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

3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 90546721) has the molecular formula C16H12Cl2N2OS2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID90546721
Molecular FormulaC16H12Cl2N2OS2
Molecular Weight383.33 g/mol
Exact Mass381.98
IUPAC Name3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2OS2/c1-9-14(23-16(20-9)13-3-2-6-22-13)8-19-15(21)10-4-5-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,21)
InChIKeyYXDXOOZCKXODHF-UHFFFAOYSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 71795404
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-nitrobenzamide
CID 90546827
1-(3,5-dichlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546969
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546926
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546701
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 90546787

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide (CID 90546721) is 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide is Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is YXDXOOZCKXODHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS2/c1-9-14(23-16(20-9)13-3-2-6-22-13)8-19-15(21)10-4-5-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 383.33 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 90546721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).