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

C9H6Cl2N2OS2 — CID 2740553

IUPACN-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(Cl)c(Cl)s2)cs1
InChIInChI=1S/C9H6Cl2N2OS2/c1-4(14)12-9-13-6(3-15-9)7-2-5(10)8(11)16-7/h2-3H,1H3,(H,12,13,14)
InChIKeyMDZDHZNHYGFGHT-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.14
Rot. Bonds2

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

N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2740553) has the molecular formula C9H6Cl2N2OS2 and a molecular weight of 293.20 g/mol. Its IUPAC name is N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID2740553
Molecular FormulaC9H6Cl2N2OS2
Molecular Weight293.20 g/mol
Exact Mass291.93
IUPAC NameN-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(Cl)c(Cl)s2)cs1
InChIInChI=1S/C9H6Cl2N2OS2/c1-4(14)12-9-13-6(3-15-9)7-2-5(10)8(11)16-7/h2-3H,1H3,(H,12,13,14)
InChIKeyMDZDHZNHYGFGHT-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 2740553) is N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cc(Cl)c(Cl)s2)cs1.
What is the InChIKey of N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MDZDHZNHYGFGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS2/c1-4(14)12-9-13-6(3-15-9)7-2-5(10)8(11)16-7/h2-3H,1H3,(H,12,13,14).
What are the key properties of N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 293.20 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2740553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).