N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H18N2O2S — CID 107127167

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(O)c1csc(NC(=O)C2CCc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O2S/c1-10(19)14-9-21-16(17-14)18-15(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13,19H,6-8H2,1H3,(H,17,18,20)
InChIKeyGIORSFHVIVCJNI-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.94
Rot. Bonds3

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127167) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127167
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(O)c1csc(NC(=O)C2CCc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O2S/c1-10(19)14-9-21-16(17-14)18-15(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13,19H,6-8H2,1H3,(H,17,18,20)
InChIKeyGIORSFHVIVCJNI-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 64542838
N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127203
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide
CID 78915843
N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127313
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64558448
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
CID 64543045
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106352920
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127167) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(O)c1csc(NC(=O)C2CCc3ccccc3C2)n1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GIORSFHVIVCJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10(19)14-9-21-16(17-14)18-15(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9-10,13,19H,6-8H2,1H3,(H,17,18,20).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).