N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide

C18H17N3O2S — CID 131942099

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESNc1nc(CNC(=O)CCC(=O)c2cccc3ccccc23)cs1
InChIInChI=1S/C18H17N3O2S/c19-18-21-13(11-24-18)10-20-17(23)9-8-16(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,11H,8-10H2,(H2,19,21)(H,20,23)
InChIKeyQOJHCMFHRORLPW-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.16
Rot. Bonds6

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide (PubChem CID 131942099) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide
PubChem CID131942099
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESNc1nc(CNC(=O)CCC(=O)c2cccc3ccccc23)cs1
InChIInChI=1S/C18H17N3O2S/c19-18-21-13(11-24-18)10-20-17(23)9-8-16(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,11H,8-10H2,(H2,19,21)(H,20,23)
InChIKeyQOJHCMFHRORLPW-UHFFFAOYSA-N
XLogP3.16
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
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CID 110718046
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
4-naphthalen-1-yl-4-oxo-N-(4-pyridin-4-yloxyphenyl)butanamide
CID 147792744
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
1-naphthalen-1-yl-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552683
2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170888
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-naphthalen-1-ylethanone
CID 593277

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide (CID 131942099) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide is Nc1nc(CNC(=O)CCC(=O)c2cccc3ccccc23)cs1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide?
The InChIKey is QOJHCMFHRORLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-18-21-13(11-24-18)10-20-17(23)9-8-16(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,11H,8-10H2,(H2,19,21)(H,20,23).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide has a molecular weight of 339.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-naphthalen-1-yl-4-oxobutanamide is sourced from PubChem (CID 131942099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).