4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide

C17H13N3O2S — CID 118061294

IUPAC4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide
SMILESO=C(C#CCO)Nc1cnc(Nc2ccc3ccccc3c2)s1
InChIInChI=1S/C17H13N3O2S/c21-9-3-6-15(22)20-16-11-18-17(23-16)19-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10-11,21H,9H2,(H,18,19)(H,20,22)
InChIKeyWHZYJWVHEVBMPY-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.97
Rot. Bonds3

About 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide

4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide (PubChem CID 118061294) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide
PubChem CID118061294
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide
SMILESO=C(C#CCO)Nc1cnc(Nc2ccc3ccccc3c2)s1
InChIInChI=1S/C17H13N3O2S/c21-9-3-6-15(22)20-16-11-18-17(23-16)19-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10-11,21H,9H2,(H,18,19)(H,20,22)
InChIKeyWHZYJWVHEVBMPY-UHFFFAOYSA-N
XLogP2.97
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[6-(2-hydroxyethylamino)hex-2-ynoylamino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118061310
2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one
CID 597901
2-[2-(naphthalen-2-ylamino)-1,3-thiazol-4-yl]acetamide
CID 170510503
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 118062665
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
4-(naphthalen-2-ylamino)-2-phenylbenzamide
CID 164543764
5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118061542
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
5-[[(Z)-3-chlorobut-2-enoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062264
N-isoquinolin-6-yl-3-phenylprop-2-ynamide
CID 135200057
5-[[4-[(2-hydroxyethylamino)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062272

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide?
The IUPAC name of 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide (CID 118061294) is 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide.
What is the SMILES notation for 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide?
The canonical SMILES for 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide is O=C(C#CCO)Nc1cnc(Nc2ccc3ccccc3c2)s1.
What is the InChIKey of 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide?
The InChIKey is WHZYJWVHEVBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-9-3-6-15(22)20-16-11-18-17(23-16)19-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10-11,21H,9H2,(H,18,19)(H,20,22).
What are the key properties of 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide?
4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide has a molecular weight of 323.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]but-2-ynamide is sourced from PubChem (CID 118061294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).