2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone

C13H18N2OS — CID 106655376

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone
SMILESNc1nc(CC(=O)C2=CCCCCCC2)cs1
InChIInChI=1S/C13H18N2OS/c14-13-15-11(9-17-13)8-12(16)10-6-4-2-1-3-5-7-10/h6,9H,1-5,7-8H2,(H2,14,15)
InChIKeyIOZFRYUOXRTWKW-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone (PubChem CID 106655376) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone
PubChem CID106655376
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone
SMILESNc1nc(CC(=O)C2=CCCCCCC2)cs1
InChIInChI=1S/C13H18N2OS/c14-13-15-11(9-17-13)8-12(16)10-6-4-2-1-3-5-7-10/h6,9H,1-5,7-8H2,(H2,14,15)
InChIKeyIOZFRYUOXRTWKW-UHFFFAOYSA-N
XLogP3.12
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
CID 103450531
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 103450602
2-(5-bromo-2-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450574
2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450475
2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450421
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
2-(2-amino-1,3-thiazol-4-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104967422
2-(2-amino-1,3-thiazol-4-yl)-1-(3,5-dimethoxyphenyl)ethanone
CID 116575716
1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103449933
2-(2-amino-1,3-thiazol-4-yl)-1-pyrazin-2-ylethanone
CID 116575743

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone (CID 106655376) is 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone is Nc1nc(CC(=O)C2=CCCCCCC2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone?
The InChIKey is IOZFRYUOXRTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-13-15-11(9-17-13)8-12(16)10-6-4-2-1-3-5-7-10/h6,9H,1-5,7-8H2,(H2,14,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone has a molecular weight of 250.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(cycloocten-1-yl)ethanone is sourced from PubChem (CID 106655376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).