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

C11H19N3OS — CID 106138947

IUPAC5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1snc(N)c1C1CC1
InChIInChI=1S/C11H19N3OS/c1-7(15)3-2-6-13-11-9(8-4-5-8)10(12)14-16-11/h7-8,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyCKAYECGENCVBRE-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.18
Rot. Bonds6

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

5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol (PubChem CID 106138947) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol
PubChem CID106138947
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1snc(N)c1C1CC1
InChIInChI=1S/C11H19N3OS/c1-7(15)3-2-6-13-11-9(8-4-5-8)10(12)14-16-11/h7-8,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyCKAYECGENCVBRE-UHFFFAOYSA-N
XLogP2.18
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.18
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 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol (CID 106138947) is 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol is CC(O)CCCNc1snc(N)c1C1CC1.
What is the InChIKey of 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol?
The InChIKey is CKAYECGENCVBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(15)3-2-6-13-11-9(8-4-5-8)10(12)14-16-11/h7-8,13,15H,2-6H2,1H3,(H2,12,14).
What are the key properties of 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol?
5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol is sourced from PubChem (CID 106138947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).