(4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone

C14H16N2OS — CID 67315824

IUPAC(4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone
SMILESNC1CCC(C(=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C14H16N2OS/c15-10-7-5-9(6-8-10)13(17)14-16-11-3-1-2-4-12(11)18-14/h1-4,9-10H,5-8,15H2
InChIKeyLVSAHRASAIUSLD-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.00
Rot. Bonds2

About (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone

(4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone (PubChem CID 67315824) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone
PubChem CID67315824
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone
SMILESNC1CCC(C(=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C14H16N2OS/c15-10-7-5-9(6-8-10)13(17)14-16-11-3-1-2-4-12(11)18-14/h1-4,9-10H,5-8,15H2
InChIKeyLVSAHRASAIUSLD-UHFFFAOYSA-N
XLogP3.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone
CID 70087757
2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 16670594
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-(benzotriazol-1-yl)propan-1-one
CID 110214266
1-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 16670610
5-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1,3-thiazolidine-2,4-dione
CID 16670913
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692173
1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105796
3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 116999894
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
sulfanyl 1,3-benzothiazole-2-carboxylate
CID 87987373
1,3-benzothiazole-2-carbonyl(methanidyl)azanium
CID 59280493

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone (CID 67315824) is (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone is NC1CCC(C(=O)c2nc3ccccc3s2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone?
The InChIKey is LVSAHRASAIUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-10-7-5-9(6-8-10)13(17)14-16-11-3-1-2-4-12(11)18-14/h1-4,9-10H,5-8,15H2.
What are the key properties of (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone?
(4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 67315824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).