3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one

C7H10N2OS — CID 82412398

IUPAC3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(C(=O)CCN)cs1
InChIInChI=1S/C7H10N2OS/c1-5-9-6(4-11-5)7(10)2-3-8/h4H,2-3,8H2,1H3
InChIKeyDEIOXSWZFFJXSQ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.98
Rot. Bonds3

About 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one

3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 82412398) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID82412398
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(C(=O)CCN)cs1
InChIInChI=1S/C7H10N2OS/c1-5-9-6(4-11-5)7(10)2-3-8/h4H,2-3,8H2,1H3
InChIKeyDEIOXSWZFFJXSQ-UHFFFAOYSA-N
XLogP0.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one (CID 82412398) is 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one is Cc1nc(C(=O)CCN)cs1.
What is the InChIKey of 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is DEIOXSWZFFJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-9-6(4-11-5)7(10)2-3-8/h4H,2-3,8H2,1H3.
What are the key properties of 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 170.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 82412398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).