2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide

C19H22N2O3S2 — CID 5053215

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C19H22N2O3S2/c22-18(9-13-7-8-26(23,24)12-13)21-19-20-17(11-25-19)16-6-5-14-3-1-2-4-15(14)10-16/h5-6,10-11,13H,1-4,7-9,12H2,(H,20,21,22)
InChIKeyNKFZBRHCTCYFAH-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.45
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5053215) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID5053215
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C19H22N2O3S2/c22-18(9-13-7-8-26(23,24)12-13)21-19-20-17(11-25-19)16-6-5-14-3-1-2-4-15(14)10-16/h5-6,10-11,13H,1-4,7-9,12H2,(H,20,21,22)
InChIKeyNKFZBRHCTCYFAH-UHFFFAOYSA-N
XLogP3.45
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9046754
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7222665
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9049138
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 8780790
2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 4550540
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
2-(3-fluorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16548821
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119687104
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
2-(4-ethylsulfonylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 18587057

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 5053215) is 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is O=C(CC1CCS(=O)(=O)C1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NKFZBRHCTCYFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c22-18(9-13-7-8-26(23,24)12-13)21-19-20-17(11-25-19)16-6-5-14-3-1-2-4-15(14)10-16/h5-6,10-11,13H,1-4,7-9,12H2,(H,20,21,22).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5053215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).