N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

C14H7ClN4O2S2 — CID 2104601

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C14H7ClN4O2S2/c15-11-4-3-9(23-11)13-18-19-14(21-13)17-12(20)7-1-2-8-10(5-7)22-6-16-8/h1-6H,(H,17,19,20)
InChIKeyDOBXVBFEASLPSW-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-6-carboxamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 2104601) 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-6-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID2104601
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-6-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C14H7ClN4O2S2/c15-11-4-3-9(23-11)13-18-19-14(21-13)17-12(20)7-1-2-8-10(5-7)22-6-16-8/h1-6H,(H,17,19,20)
InChIKeyDOBXVBFEASLPSW-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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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 4252281
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 4260390
N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7295080
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 155807492
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 3466460
N-(5-(3-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-6-carboxamide
CID 7295103
N-(5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-6-carboxamide
CID 42110021
N-(5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-6-carboxamide
CID 42110874
N-(5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-6-carboxamide
CID 43972857
N-(5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl)benzo[d]thiazole-2-carboxamide
CID 43972920
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 2104544

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 2104601) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is DOBXVBFEASLPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4O2S2/c15-11-4-3-9(23-11)13-18-19-14(21-13)17-12(20)7-1-2-8-10(5-7)22-6-16-8/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-6-carboxamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-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-6-carboxamide is sourced from PubChem (CID 2104601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).