N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide

C16H24N2OS — CID 90303442

IUPACN-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
SMILESC[C@@H](NC(=O)C1CCCc2ncsc21)C1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-11(12-6-3-2-4-7-12)18-16(19)13-8-5-9-14-15(13)20-10-17-14/h10-13H,2-9H2,1H3,(H,18,19)/t11-,13?/m1/s1
InChIKeyYZNYASUJOPBGGK-JTDNENJMSA-N
MW292.45 g/mol
LogP3.65
Rot. Bonds3

About N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide

N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide (PubChem CID 90303442) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
PubChem CID90303442
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
SMILESC[C@@H](NC(=O)C1CCCc2ncsc21)C1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-11(12-6-3-2-4-7-12)18-16(19)13-8-5-9-14-15(13)20-10-17-14/h10-13H,2-9H2,1H3,(H,18,19)/t11-,13?/m1/s1
InChIKeyYZNYASUJOPBGGK-JTDNENJMSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide (CID 90303442) is N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide is C[C@@H](NC(=O)C1CCCc2ncsc21)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide?
The InChIKey is YZNYASUJOPBGGK-JTDNENJMSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(12-6-3-2-4-7-12)18-16(19)13-8-5-9-14-15(13)20-10-17-14/h10-13H,2-9H2,1H3,(H,18,19)/t11-,13?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide?
N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 90303442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).