4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide

C13H14Cl2N2OS2 — CID 71972491

IUPAC4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCN(Cc1nccs1)C(=O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N2OS2/c1-17(8-11-16-5-6-19-11)12(18)4-2-3-9-7-10(14)20-13(9)15/h5-7H,2-4,8H2,1H3
InChIKeyIVZAUGMFLUUNCE-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.49
Rot. Bonds6

About 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide

4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 71972491) has the molecular formula C13H14Cl2N2OS2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID71972491
Molecular FormulaC13H14Cl2N2OS2
Molecular Weight349.31 g/mol
Exact Mass347.99
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCN(Cc1nccs1)C(=O)CCCc1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N2OS2/c1-17(8-11-16-5-6-19-11)12(18)4-2-3-9-7-10(14)20-13(9)15/h5-7H,2-4,8H2,1H3
InChIKeyIVZAUGMFLUUNCE-UHFFFAOYSA-N
XLogP4.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 56906564
N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-ynamide
CID 130614901
(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42117371
2-(4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110715683
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 119891584
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
CID 63307571
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
2-(2-chlorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716038
3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110715983
2-fluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715660
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 71972491) is 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide is CN(Cc1nccs1)C(=O)CCCc1cc(Cl)sc1Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is IVZAUGMFLUUNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS2/c1-17(8-11-16-5-6-19-11)12(18)4-2-3-9-7-10(14)20-13(9)15/h5-7H,2-4,8H2,1H3.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 349.31 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 71972491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).