5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine

C14H23N3OS — CID 103361711

IUPAC5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCOC2CCCCC2)c1C1CC1
InChIInChI=1S/C14H23N3OS/c15-13-12(10-6-7-10)14(19-17-13)16-8-9-18-11-4-2-1-3-5-11/h10-11,16H,1-9H2,(H2,15,17)
InChIKeyCXARMDIMEFLZQT-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.36
Rot. Bonds6

About 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine

5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine (PubChem CID 103361711) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
PubChem CID103361711
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCOC2CCCCC2)c1C1CC1
InChIInChI=1S/C14H23N3OS/c15-13-12(10-6-7-10)14(19-17-13)16-8-9-18-11-4-2-1-3-5-11/h10-11,16H,1-9H2,(H2,15,17)
InChIKeyCXARMDIMEFLZQT-UHFFFAOYSA-N
XLogP3.36
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103365365
4-cyclopropyl-5-N-(2-cyclopropylethyl)-1,2-thiazole-3,5-diamine
CID 103359905
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103363356
3-amino-5-(2-cyclopentyloxyethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361701
4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103361131
5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278347
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700
4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361026
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361091
5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103359522
5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol
CID 106138947

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine (CID 103361711) is 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine is Nc1nsc(NCCOC2CCCCC2)c1C1CC1.
What is the InChIKey of 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The InChIKey is CXARMDIMEFLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c15-13-12(10-6-7-10)14(19-17-13)16-8-9-18-11-4-2-1-3-5-11/h10-11,16H,1-9H2,(H2,15,17).
What are the key properties of 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine?
5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine has a molecular weight of 281.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).