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

C11H20N2OS — CID 65107863

IUPAC1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
SMILESCCc1ncc(CNCC(C)(O)CC)s1
InChIInChI=1S/C11H20N2OS/c1-4-10-13-7-9(15-10)6-12-8-11(3,14)5-2/h7,12,14H,4-6,8H2,1-3H3
InChIKeyNCVLVNXBERRZGQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.96
Rot. Bonds6

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

1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 65107863) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
PubChem CID65107863
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
SMILESCCc1ncc(CNCC(C)(O)CC)s1
InChIInChI=1S/C11H20N2OS/c1-4-10-13-7-9(15-10)6-12-8-11(3,14)5-2/h7,12,14H,4-6,8H2,1-3H3
InChIKeyNCVLVNXBERRZGQ-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol (CID 65107863) is 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol is CCc1ncc(CNCC(C)(O)CC)s1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is NCVLVNXBERRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-10-13-7-9(15-10)6-12-8-11(3,14)5-2/h7,12,14H,4-6,8H2,1-3H3.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65107863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).