2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol

C12H22N2OS — CID 61246863

IUPAC2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol
SMILESCCc1ncc(CNC(CO)CC(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-4-12-14-7-11(16-12)6-13-10(8-15)5-9(2)3/h7,9-10,13,15H,4-6,8H2,1-3H3
InChIKeyRDKXBYNHFHKDAR-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.20
Rot. Bonds7

About 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol

2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 61246863) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol
PubChem CID61246863
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol
SMILESCCc1ncc(CNC(CO)CC(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-4-12-14-7-11(16-12)6-13-10(8-15)5-9(2)3/h7,9-10,13,15H,4-6,8H2,1-3H3
InChIKeyRDKXBYNHFHKDAR-UHFFFAOYSA-N
XLogP2.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol (CID 61246863) is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol is CCc1ncc(CNC(CO)CC(C)C)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is RDKXBYNHFHKDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-12-14-7-11(16-12)6-13-10(8-15)5-9(2)3/h7,9-10,13,15H,4-6,8H2,1-3H3.
What are the key properties of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol?
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 61246863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).