N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine

C16H22N2S — CID 82549483

IUPACN-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)c1cccc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C16H22N2S/c1-11(2)13-9-6-10-14-15(13)18-16(19-14)17-12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyYFFQDQMDEADNKK-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.16
Rot. Bonds3

About N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine

N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 82549483) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID82549483
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)c1cccc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C16H22N2S/c1-11(2)13-9-6-10-14-15(13)18-16(19-14)17-12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,17,18)
InChIKeyYFFQDQMDEADNKK-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121082874
N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 155748502
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
4-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzothiazol-2-amine
CID 79129229
4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine
CID 79147278
N'-(4-propan-2-yl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191542
4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 79146325
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine
CID 82549515
4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 79130669

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine (CID 82549483) is N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine is CC(C)c1cccc2sc(NC3CCCCC3)nc12.
What is the InChIKey of N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is YFFQDQMDEADNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)13-9-6-10-14-15(13)18-16(19-14)17-12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).