4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine

C20H23ClN4S — CID 167090747

IUPAC4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine
SMILESCC(NC1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccnc(N)c1
InChIInChI=1S/C20H23ClN4S/c1-12(14-8-9-23-19(22)10-14)24-16-5-2-13(3-6-16)20-25-17-11-15(21)4-7-18(17)26-20/h4,7-13,16,24H,2-3,5-6H2,1H3,(H2,22,23)
InChIKeyUYTDZPJAIUFCFB-UHFFFAOYSA-N
MW386.95 g/mol
LogP5.30
Rot. Bonds4

About 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine

4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine (PubChem CID 167090747) has the molecular formula C20H23ClN4S and a molecular weight of 386.95 g/mol. Its IUPAC name is 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine
PubChem CID167090747
Molecular FormulaC20H23ClN4S
Molecular Weight386.95 g/mol
Exact Mass386.13
IUPAC Name4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine
SMILESCC(NC1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccnc(N)c1
InChIInChI=1S/C20H23ClN4S/c1-12(14-8-9-23-19(22)10-14)24-16-5-2-13(3-6-16)20-25-17-11-15(21)4-7-18(17)26-20/h4,7-13,16,24H,2-3,5-6H2,1H3,(H2,22,23)
InChIKeyUYTDZPJAIUFCFB-UHFFFAOYSA-N
XLogP5.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.95
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine with MolForge

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Related Compounds

3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
methyl 6-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]carbamoyl]pyrimidine-4-carboxylate
CID 167090732
2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
CID 84696103
5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 43524200
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 41419767
1-bicyclo[1.1.0]butanyl-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 166427433
5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 63030611
4-(5-chloro-1,3-benzothiazol-2-yl)-N-(dicyclopropylmethyl)piperidine-1-carboxamide
CID 78856371
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
1-[5-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 41420051
4-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]butanenitrile
CID 51111339
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 41419742

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine?
The IUPAC name of 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine (CID 167090747) is 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine?
The canonical SMILES for 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine is CC(NC1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccnc(N)c1.
What is the InChIKey of 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine?
The InChIKey is UYTDZPJAIUFCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4S/c1-12(14-8-9-23-19(22)10-14)24-16-5-2-13(3-6-16)20-25-17-11-15(21)4-7-18(17)26-20/h4,7-13,16,24H,2-3,5-6H2,1H3,(H2,22,23).
What are the key properties of 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine?
4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine has a molecular weight of 386.95 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]amino]ethyl]pyridin-2-amine is sourced from PubChem (CID 167090747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).