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

C9H14N2OS — CID 97178760

IUPAC2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(C(C)C)sc1C(=O)CN
InChIInChI=1S/C9H14N2OS/c1-5(2)9-11-6(3)8(13-9)7(12)4-10/h5H,4,10H2,1-3H3
InChIKeyRZRHWLJCRZWAFQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.72
Rot. Bonds3

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

2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 97178760) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone
PubChem CID97178760
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(C(C)C)sc1C(=O)CN
InChIInChI=1S/C9H14N2OS/c1-5(2)9-11-6(3)8(13-9)7(12)4-10/h5H,4,10H2,1-3H3
InChIKeyRZRHWLJCRZWAFQ-UHFFFAOYSA-N
XLogP1.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone (CID 97178760) is 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone is Cc1nc(C(C)C)sc1C(=O)CN.
What is the InChIKey of 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is RZRHWLJCRZWAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-5(2)9-11-6(3)8(13-9)7(12)4-10/h5H,4,10H2,1-3H3.
What are the key properties of 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone?
2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 198.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 97178760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).