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

C15H10Cl2N2OS2 — CID 18827660

IUPACN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cccs1
InChIInChI=1S/C15H10Cl2N2OS2/c16-11-4-1-3-9(13(11)17)7-10-8-18-15(22-10)19-14(20)12-5-2-6-21-12/h1-6,8H,7H2,(H,18,19,20)
InChIKeyIDIWYCXYGRHYTR-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.35
Rot. Bonds4

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

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 18827660) has the molecular formula C15H10Cl2N2OS2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID18827660
Molecular FormulaC15H10Cl2N2OS2
Molecular Weight369.30 g/mol
Exact Mass367.96
IUPAC NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cccs1
InChIInChI=1S/C15H10Cl2N2OS2/c16-11-4-1-3-9(13(11)17)7-10-8-18-15(22-10)19-14(20)12-5-2-6-21-12/h1-6,8H,7H2,(H,18,19,20)
InChIKeyIDIWYCXYGRHYTR-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-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827701
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
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]-2-naphthalen-1-ylacetamide
CID 2282754
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 112810438
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24594565
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838178
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 3608472
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785464
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide
CID 2239758

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 18827660) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cccs1.
What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is IDIWYCXYGRHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS2/c16-11-4-1-3-9(13(11)17)7-10-8-18-15(22-10)19-14(20)12-5-2-6-21-12/h1-6,8H,7H2,(H,18,19,20).
What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(2,3-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-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 18827660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).