2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol

C11H20N2OS — CID 65168722

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(C)c(C)s1
InChIInChI=1S/C11H20N2OS/c1-5-11(6-2,7-14)13-10-12-8(3)9(4)15-10/h14H,5-7H2,1-4H3,(H,12,13)
InChIKeyDMBOHKIKDVGOKC-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.72
Rot. Bonds5

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

2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol (PubChem CID 65168722) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol
PubChem CID65168722
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(C)c(C)s1
InChIInChI=1S/C11H20N2OS/c1-5-11(6-2,7-14)13-10-12-8(3)9(4)15-10/h14H,5-7H2,1-4H3,(H,12,13)
InChIKeyDMBOHKIKDVGOKC-UHFFFAOYSA-N
XLogP2.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol (CID 65168722) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is DMBOHKIKDVGOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-11(6-2,7-14)13-10-12-8(3)9(4)15-10/h14H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 65168722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).