N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

C14H7ClN4O2S2 — CID 2104544

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1nc2ccccc2s1
InChIInChI=1S/C14H7ClN4O2S2/c15-10-6-5-9(22-10)12-18-19-14(21-12)17-11(20)13-16-7-3-1-2-4-8(7)23-13/h1-6H,(H,17,19,20)
InChIKeyZFUCCFJAOWBQPN-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.31
Rot. Bonds3

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 2104544) has the molecular formula C14H7ClN4O2S2 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID2104544
Molecular FormulaC14H7ClN4O2S2
Molecular Weight362.82 g/mol
Exact Mass361.97
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1nc2ccccc2s1
InChIInChI=1S/C14H7ClN4O2S2/c15-10-6-5-9(22-10)12-18-19-14(21-12)17-11(20)13-16-7-3-1-2-4-8(7)23-13/h1-6H,(H,17,19,20)
InChIKeyZFUCCFJAOWBQPN-UHFFFAOYSA-N
XLogP4.31
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 2104544) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1nc2ccccc2s1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is ZFUCCFJAOWBQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4O2S2/c15-10-6-5-9(22-10)12-18-19-14(21-12)17-11(20)13-16-7-3-1-2-4-8(7)23-13/h1-6H,(H,17,19,20).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 2104544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).