N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

C17H17N3OS2 — CID 4188758

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1CCCCC1
InChIInChI=1S/C17H17N3OS2/c21-15(11-6-2-1-3-7-11)20-17-19-13(10-22-17)16-18-12-8-4-5-9-14(12)23-16/h4-5,8-11H,1-3,6-7H2,(H,19,20,21)
InChIKeyKOFNAOTULXUKQH-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.94
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 4188758) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID4188758
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1CCCCC1
InChIInChI=1S/C17H17N3OS2/c21-15(11-6-2-1-3-7-11)20-17-19-13(10-22-17)16-18-12-8-4-5-9-14(12)23-16/h4-5,8-11H,1-3,6-7H2,(H,19,20,21)
InChIKeyKOFNAOTULXUKQH-UHFFFAOYSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 4673623
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide
CID 4185251
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718110
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110481
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 9246504

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 4188758) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1CCCCC1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is KOFNAOTULXUKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c21-15(11-6-2-1-3-7-11)20-17-19-13(10-22-17)16-18-12-8-4-5-9-14(12)23-16/h4-5,8-11H,1-3,6-7H2,(H,19,20,21).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 343.48 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 4188758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).