4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one

C7H12N2OS — CID 103113122

IUPAC4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one
SMILESCC(C)C(N)c1csc(=O)[nH]1
InChIInChI=1S/C7H12N2OS/c1-4(2)6(8)5-3-11-7(10)9-5/h3-4,6H,8H2,1-2H3,(H,9,10)
InChIKeyFMQZFPSVDMZEMA-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.09
Rot. Bonds2

About 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one

4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one (PubChem CID 103113122) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one
PubChem CID103113122
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one
SMILESCC(C)C(N)c1csc(=O)[nH]1
InChIInChI=1S/C7H12N2OS/c1-4(2)6(8)5-3-11-7(10)9-5/h3-4,6H,8H2,1-2H3,(H,9,10)
InChIKeyFMQZFPSVDMZEMA-UHFFFAOYSA-N
XLogP1.09
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one (CID 103113122) is 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one is CC(C)C(N)c1csc(=O)[nH]1.
What is the InChIKey of 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one?
The InChIKey is FMQZFPSVDMZEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4(2)6(8)5-3-11-7(10)9-5/h3-4,6H,8H2,1-2H3,(H,9,10).
What are the key properties of 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one?
4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one has a molecular weight of 172.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).