6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol

C12H21N3OS — CID 114009580

IUPAC6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
SMILESNc1nsc(NCCCCCCO)c1C1CC1
InChIInChI=1S/C12H21N3OS/c13-11-10(9-5-6-9)12(17-15-11)14-7-3-1-2-4-8-16/h9,14,16H,1-8H2,(H2,13,15)
InChIKeyNDFDKHIQGGVEEU-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.57
Rot. Bonds8

About 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol

6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol (PubChem CID 114009580) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
PubChem CID114009580
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
SMILESNc1nsc(NCCCCCCO)c1C1CC1
InChIInChI=1S/C12H21N3OS/c13-11-10(9-5-6-9)12(17-15-11)14-7-3-1-2-4-8-16/h9,14,16H,1-8H2,(H2,13,15)
InChIKeyNDFDKHIQGGVEEU-UHFFFAOYSA-N
XLogP2.57
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol (CID 114009580) is 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol is Nc1nsc(NCCCCCCO)c1C1CC1.
What is the InChIKey of 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol?
The InChIKey is NDFDKHIQGGVEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c13-11-10(9-5-6-9)12(17-15-11)14-7-3-1-2-4-8-16/h9,14,16H,1-8H2,(H2,13,15).
What are the key properties of 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol?
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol is sourced from PubChem (CID 114009580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).