1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine

C16H20N2S — CID 117434100

IUPAC1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine
SMILESNC1(c2cccc3sc(C4CC4)nc23)CCCCC1
InChIInChI=1S/C16H20N2S/c17-16(9-2-1-3-10-16)12-5-4-6-13-14(12)18-15(19-13)11-7-8-11/h4-6,11H,1-3,7-10,17H2
InChIKeyACPZAOZFWJXZGX-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.29
Rot. Bonds2

About 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine

1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine (PubChem CID 117434100) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine
PubChem CID117434100
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine
SMILESNC1(c2cccc3sc(C4CC4)nc23)CCCCC1
InChIInChI=1S/C16H20N2S/c17-16(9-2-1-3-10-16)12-5-4-6-13-14(12)18-15(19-13)11-7-8-11/h4-6,11H,1-3,7-10,17H2
InChIKeyACPZAOZFWJXZGX-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-methoxy-1,3-benzothiazole
CID 18356996
1-quinolin-8-ylcycloheptan-1-amine
CID 81216592
4-(2-cyclopropyl-1,3-benzothiazol-4-yl)butan-1-amine
CID 117368801
2-amino-2-(2-cyclopropyl-1,3-benzothiazol-4-yl)acetic acid
CID 117373678
1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
1-(2-cyclopropyl-1,3-benzothiazol-4-yl)-2-(methylamino)ethanone
CID 117368432
2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 117436564
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026
1-(4-cyclopropylpyrimidin-2-yl)cyclohexan-1-amine
CID 63320036
2-cyclohexyl-[1,3]thiazolo[4,5-b]pyridine
CID 139087737
3-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 79146531
4-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 79147053

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine (CID 117434100) is 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine is NC1(c2cccc3sc(C4CC4)nc23)CCCCC1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine?
The InChIKey is ACPZAOZFWJXZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-16(9-2-1-3-10-16)12-5-4-6-13-14(12)18-15(19-13)11-7-8-11/h4-6,11H,1-3,7-10,17H2.
What are the key properties of 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine?
1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzothiazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 117434100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).