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

C9H16N2OS — CID 65169536

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H16N2OS/c1-4-8(5-12)11-9-10-6(2)7(3)13-9/h8,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyORMVXZPUYDSPCY-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.94
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol (PubChem CID 65169536) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol
PubChem CID65169536
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H16N2OS/c1-4-8(5-12)11-9-10-6(2)7(3)13-9/h8,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyORMVXZPUYDSPCY-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.94
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]butan-1-ol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol (CID 65169536) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol is CCC(CO)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol?
The InChIKey is ORMVXZPUYDSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-8(5-12)11-9-10-6(2)7(3)13-9/h8,12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]butan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.94, 4 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]butan-1-ol is sourced from PubChem (CID 65169536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).