N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C19H11Cl2N3O2S3 — CID 167768820

IUPACN-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H11Cl2N3O2S3/c20-15-8-12(16(21)29-15)13-9-28-19(23-13)24-17(25)10-3-5-11(6-4-10)22-18(26)14-2-1-7-27-14/h1-9H,(H,22,26)(H,23,24,25)
InChIKeyNXCWQYLHMLSOFO-UHFFFAOYSA-N
MW480.42 g/mol
LogP6.74
Rot. Bonds5

About N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 167768820) has the molecular formula C19H11Cl2N3O2S3 and a molecular weight of 480.42 g/mol. Its IUPAC name is N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID167768820
Molecular FormulaC19H11Cl2N3O2S3
Molecular Weight480.42 g/mol
Exact Mass478.94
IUPAC NameN-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H11Cl2N3O2S3/c20-15-8-12(16(21)29-15)13-9-28-19(23-13)24-17(25)10-3-5-11(6-4-10)22-18(26)14-2-1-7-27-14/h1-9H,(H,22,26)(H,23,24,25)
InChIKeyNXCWQYLHMLSOFO-UHFFFAOYSA-N
XLogP6.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.42
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24570119
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045199
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 18282187
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
N-[2-chloro-5-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 4845975
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55396589
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 17456352

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 167768820) is N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is NXCWQYLHMLSOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2S3/c20-15-8-12(16(21)29-15)13-9-28-19(23-13)24-17(25)10-3-5-11(6-4-10)22-18(26)14-2-1-7-27-14/h1-9H,(H,22,26)(H,23,24,25).
What are the key properties of N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 480.42 g/mol, XLogP of 6.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 167768820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).