N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide

C16H13N3O2S — CID 17449882

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C16H13N3O2S/c17-14(20)8-11-9-22-16(18-11)19-15(21)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8H2,(H2,17,20)(H,18,19,21)
InChIKeyQNWJGPCARQOGHZ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.58
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 17449882) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
PubChem CID17449882
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C16H13N3O2S/c17-14(20)8-11-9-22-16(18-11)19-15(21)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8H2,(H2,17,20)(H,18,19,21)
InChIKeyQNWJGPCARQOGHZ-UHFFFAOYSA-N
XLogP2.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 24646052
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide
CID 51258065
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-fluoroanilino)benzamide
CID 18139533
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 17463764
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24666405
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-bromo-2-hydroxybenzamide
CID 26045800
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
CID 18139574
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (CID 17449882) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is NC(=O)Cc1csc(NC(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is QNWJGPCARQOGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c17-14(20)8-11-9-22-16(18-11)19-15(21)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8H2,(H2,17,20)(H,18,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 17449882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).