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

C12H6Cl2N2OS3 — CID 2415029

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccs1
InChIInChI=1S/C12H6Cl2N2OS3/c13-9-4-6(10(14)20-9)7-5-19-12(15-7)16-11(17)8-2-1-3-18-8/h1-5H,(H,15,16,17)
InChIKeyDEQWWOJJTAHLQN-UHFFFAOYSA-N
MW361.30 g/mol
LogP5.49
Rot. Bonds3

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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 2415029) has the molecular formula C12H6Cl2N2OS3 and a molecular weight of 361.30 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID2415029
Molecular FormulaC12H6Cl2N2OS3
Molecular Weight361.30 g/mol
Exact Mass359.90
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccs1
InChIInChI=1S/C12H6Cl2N2OS3/c13-9-4-6(10(14)20-9)7-5-19-12(15-7)16-11(17)8-2-1-3-18-8/h1-5H,(H,15,16,17)
InChIKeyDEQWWOJJTAHLQN-UHFFFAOYSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.30
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 2415029) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccs1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is DEQWWOJJTAHLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS3/c13-9-4-6(10(14)20-9)7-5-19-12(15-7)16-11(17)8-2-1-3-18-8/h1-5H,(H,15,16,17).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 361.30 g/mol, XLogP of 5.49, 3 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]thiophene-2-carboxamide is sourced from PubChem (CID 2415029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).