(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol

C7H12N2OS — CID 84654450

IUPAC(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol
SMILESCC(C)c1sc(N)nc1CO
InChIInChI=1S/C7H12N2OS/c1-4(2)6-5(3-10)9-7(8)11-6/h4,10H,3H2,1-2H3,(H2,8,9)
InChIKeyZICVYSWLVZTIEE-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.34
Rot. Bonds2

About (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol

(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol (PubChem CID 84654450) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol
PubChem CID84654450
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol
SMILESCC(C)c1sc(N)nc1CO
InChIInChI=1S/C7H12N2OS/c1-4(2)6-5(3-10)9-7(8)11-6/h4,10H,3H2,1-2H3,(H2,8,9)
InChIKeyZICVYSWLVZTIEE-UHFFFAOYSA-N
XLogP1.34
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol?
The IUPAC name of (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol (CID 84654450) is (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol?
The canonical SMILES for (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol is CC(C)c1sc(N)nc1CO.
What is the InChIKey of (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol?
The InChIKey is ZICVYSWLVZTIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4(2)6-5(3-10)9-7(8)11-6/h4,10H,3H2,1-2H3,(H2,8,9).
What are the key properties of (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol?
(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol has a molecular weight of 172.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-propan-2-yl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 84654450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).