N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine

C16H23N3S — CID 60870636

IUPACN'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
SMILESNCCCN(c1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C16H23N3S/c17-11-6-12-19(13-7-2-1-3-8-13)16-18-14-9-4-5-10-15(14)20-16/h4-5,9-10,13H,1-3,6-8,11-12,17H2
InChIKeyLFPQFSLSUSQWKD-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.78
Rot. Bonds5

About N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine

N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine (PubChem CID 60870636) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
PubChem CID60870636
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
SMILESNCCCN(c1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C16H23N3S/c17-11-6-12-19(13-7-2-1-3-8-13)16-18-14-9-4-5-10-15(14)20-16/h4-5,9-10,13H,1-3,6-8,11-12,17H2
InChIKeyLFPQFSLSUSQWKD-UHFFFAOYSA-N
XLogP3.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 80675483
N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
CID 63231458
N-(1,3-benzothiazol-2-ylmethyl)-N-cyclohexylaniline
CID 164665828
N-hexyl-N-piperidin-2-yl-1,3-benzothiazol-2-amine
CID 174554067
N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 65209033
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
CID 102874494
2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine
CID 63231075
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine (CID 60870636) is N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine is NCCCN(c1nc2ccccc2s1)C1CCCCC1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine?
The InChIKey is LFPQFSLSUSQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c17-11-6-12-19(13-7-2-1-3-8-13)16-18-14-9-4-5-10-15(14)20-16/h4-5,9-10,13H,1-3,6-8,11-12,17H2.
What are the key properties of N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine?
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine has a molecular weight of 289.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine is sourced from PubChem (CID 60870636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).