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

C9H16N2OS — CID 65168449

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol
SMILESCc1nc(NCC(C)CO)sc1C
InChIInChI=1S/C9H16N2OS/c1-6(5-12)4-10-9-11-7(2)8(3)13-9/h6,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyRAWAAIWUYJPESZ-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.80
Rot. Bonds4

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

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 65168449) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol
PubChem CID65168449
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol
SMILESCc1nc(NCC(C)CO)sc1C
InChIInChI=1S/C9H16N2OS/c1-6(5-12)4-10-9-11-7(2)8(3)13-9/h6,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyRAWAAIWUYJPESZ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol (CID 65168449) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol is Cc1nc(NCC(C)CO)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is RAWAAIWUYJPESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(5-12)4-10-9-11-7(2)8(3)13-9/h6,12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 65168449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).