1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone

C8H12N2OS — CID 58688654

IUPAC1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
SMILESCCCNc1ncc(C(C)=O)s1
InChIInChI=1S/C8H12N2OS/c1-3-4-9-8-10-5-7(12-8)6(2)11/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyBCPWWCIVYFTYTN-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone

1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 58688654) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID58688654
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
SMILESCCCNc1ncc(C(C)=O)s1
InChIInChI=1S/C8H12N2OS/c1-3-4-9-8-10-5-7(12-8)6(2)11/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyBCPWWCIVYFTYTN-UHFFFAOYSA-N
XLogP2.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane
CID 143328357
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
methyl 2-(octylamino)-1,3-thiazole-5-carboxylate
CID 113336783
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-(5-acetyl-1,3-thiazol-2-yl)-methylboronamidic acid
CID 58334936
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 11186612
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
CID 119329727
2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid
CID 80571694
N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide
CID 130778390
2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone (CID 58688654) is 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone is CCCNc1ncc(C(C)=O)s1.
What is the InChIKey of 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is BCPWWCIVYFTYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-4-9-8-10-5-7(12-8)6(2)11/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone?
1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 184.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58688654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).