N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide

C15H20F2N2OS — CID 118571122

IUPACN-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide
SMILESCN(C(=O)C1(F)CCCc2nc(F)sc21)C1CCCCC1
InChIInChI=1S/C15H20F2N2OS/c1-19(10-6-3-2-4-7-10)13(20)15(17)9-5-8-11-12(15)21-14(16)18-11/h10H,2-9H2,1H3
InChIKeyUXWSBCLZSMVWNH-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.57
Rot. Bonds2

About N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide

N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide (PubChem CID 118571122) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide
PubChem CID118571122
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC NameN-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide
SMILESCN(C(=O)C1(F)CCCc2nc(F)sc21)C1CCCCC1
InChIInChI=1S/C15H20F2N2OS/c1-19(10-6-3-2-4-7-10)13(20)15(17)9-5-8-11-12(15)21-14(16)18-11/h10H,2-9H2,1H3
InChIKeyUXWSBCLZSMVWNH-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide?
The IUPAC name of N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide (CID 118571122) is N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide is CN(C(=O)C1(F)CCCc2nc(F)sc21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide?
The InChIKey is UXWSBCLZSMVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-19(10-6-3-2-4-7-10)13(20)15(17)9-5-8-11-12(15)21-14(16)18-11/h10H,2-9H2,1H3.
What are the key properties of N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide?
N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide has a molecular weight of 314.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,7-difluoro-N-methyl-5,6-dihydro-4H-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 118571122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).