N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide

C15H10Cl2N2O2S2 — CID 4055299

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1
InChIInChI=1S/C15H10Cl2N2O2S2/c1-21-9-4-2-3-8(5-9)14(20)19-15-18-11(7-22-15)10-6-12(16)23-13(10)17/h2-7H,1H3,(H,18,19,20)
InChIKeyKMXMLFKNDMYGEM-UHFFFAOYSA-N
MW385.30 g/mol
LogP5.44
Rot. Bonds4

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide (PubChem CID 4055299) has the molecular formula C15H10Cl2N2O2S2 and a molecular weight of 385.30 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
PubChem CID4055299
Molecular FormulaC15H10Cl2N2O2S2
Molecular Weight385.30 g/mol
Exact Mass383.96
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1
InChIInChI=1S/C15H10Cl2N2O2S2/c1-21-9-4-2-3-8(5-9)14(20)19-15-18-11(7-22-15)10-6-12(16)23-13(10)17/h2-7H,1H3,(H,18,19,20)
InChIKeyKMXMLFKNDMYGEM-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.30
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045199
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 18282187
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 60728209

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide (CID 4055299) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The InChIKey is KMXMLFKNDMYGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S2/c1-21-9-4-2-3-8(5-9)14(20)19-15-18-11(7-22-15)10-6-12(16)23-13(10)17/h2-7H,1H3,(H,18,19,20).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide has a molecular weight of 385.30 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 4055299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).