N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide

C16H20N2OS — CID 4671206

IUPACN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)C1CCCCC1)n2C
InChIInChI=1S/C16H20N2OS/c1-11-8-9-13-14(10-11)20-16(18(13)2)17-15(19)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3/b17-16-
InChIKeyMSTIHRSEBXJKNU-MSUUIHNZSA-N
MW288.42 g/mol
LogP3.56
Rot. Bonds1

About N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide (PubChem CID 4671206) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
PubChem CID4671206
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)C1CCCCC1)n2C
InChIInChI=1S/C16H20N2OS/c1-11-8-9-13-14(10-11)20-16(18(13)2)17-15(19)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3/b17-16-
InChIKeyMSTIHRSEBXJKNU-MSUUIHNZSA-N
XLogP3.56
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)cyclobutanecarboxamide
CID 43980382
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]cyclopentanecarboxamide
CID 43937645
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)cyclohexanecarboxamide
CID 42388070
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 5112536
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 4154286
methyl 2-(cyclohexanecarbonylimino)-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 3574833
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 5075437
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 4049895
N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-methylbenzamide
CID 5173622
ethyl 3-[2-(cyclohexanecarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate
CID 43983634
5-bromo-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 5103794
N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 7247592

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide (CID 4671206) is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide is Cc1ccc2c(c1)s/c(=N\C(=O)C1CCCCC1)n2C.
What is the InChIKey of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The InChIKey is MSTIHRSEBXJKNU-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-8-9-13-14(10-11)20-16(18(13)2)17-15(19)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3/b17-16-.
What are the key properties of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide is sourced from PubChem (CID 4671206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).