[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C19H22N2O4S — CID 48711107

IUPAC[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCN(C(C)=O)c1nc(COC(=O)c2cc3c(cc2O)CCCC3)cs1
InChIInChI=1S/C19H22N2O4S/c1-3-21(12(2)22)19-20-15(11-26-19)10-25-18(24)16-8-13-6-4-5-7-14(13)9-17(16)23/h8-9,11,23H,3-7,10H2,1-2H3
InChIKeyIAWMMUZTTPUDEI-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.46
Rot. Bonds5

About [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 48711107) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID48711107
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCN(C(C)=O)c1nc(COC(=O)c2cc3c(cc2O)CCCC3)cs1
InChIInChI=1S/C19H22N2O4S/c1-3-21(12(2)22)19-20-15(11-26-19)10-25-18(24)16-8-13-6-4-5-7-14(13)9-17(16)23/h8-9,11,23H,3-7,10H2,1-2H3
InChIKeyIAWMMUZTTPUDEI-UHFFFAOYSA-N
XLogP3.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 48711107) is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is CCN(C(C)=O)c1nc(COC(=O)c2cc3c(cc2O)CCCC3)cs1.
What is the InChIKey of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is IAWMMUZTTPUDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-21(12(2)22)19-20-15(11-26-19)10-25-18(24)16-8-13-6-4-5-7-14(13)9-17(16)23/h8-9,11,23H,3-7,10H2,1-2H3.
What are the key properties of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 48711107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).