N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C15H10Cl2N2OS2 — CID 18827701

IUPACN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cccs1
InChIInChI=1S/C15H10Cl2N2OS2/c16-11-4-3-9(7-12(11)17)6-10-8-18-15(22-10)19-14(20)13-2-1-5-21-13/h1-5,7-8H,6H2,(H,18,19,20)
InChIKeyVMLKZNNXLPMHLN-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.35
Rot. Bonds4

About N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 18827701) has the molecular formula C15H10Cl2N2OS2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID18827701
Molecular FormulaC15H10Cl2N2OS2
Molecular Weight369.30 g/mol
Exact Mass367.96
IUPAC NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cccs1
InChIInChI=1S/C15H10Cl2N2OS2/c16-11-4-3-9(7-12(11)17)6-10-8-18-15(22-10)19-14(20)13-2-1-5-21-13/h1-5,7-8H,6H2,(H,18,19,20)
InChIKeyVMLKZNNXLPMHLN-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.30
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827660
(2S)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 30685153
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 25494557
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxoisochromene-3-carboxamide
CID 4904458
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 42027543
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 124938588
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46535806
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827722
(2R)-2-acetamido-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 25497837

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 18827701) is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cccs1.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is VMLKZNNXLPMHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS2/c16-11-4-3-9(7-12(11)17)6-10-8-18-15(22-10)19-14(20)13-2-1-5-21-13/h1-5,7-8H,6H2,(H,18,19,20).
What are the key properties of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 369.30 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 18827701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).