5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

C24H23N5O3S — CID 90015298

IUPAC5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCN(CCO)c1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C24H23N5O3S/c1-29(12-13-30)19-10-7-16(8-11-19)22(32)28-23-20(21(25)31)27-24(33-23)26-18-9-6-15-4-2-3-5-17(15)14-18/h2-11,14,30H,12-13H2,1H3,(H2,25,31)(H,26,27)(H,28,32)
InChIKeyKQCYQPBTIWOOIO-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.82
Rot. Bonds8

About 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90015298) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90015298
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCN(CCO)c1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C24H23N5O3S/c1-29(12-13-30)19-10-7-16(8-11-19)22(32)28-23-20(21(25)31)27-24(33-23)26-18-9-6-15-4-2-3-5-17(15)14-18/h2-11,14,30H,12-13H2,1H3,(H2,25,31)(H,26,27)(H,28,32)
InChIKeyKQCYQPBTIWOOIO-UHFFFAOYSA-N
XLogP3.82
TPSA120.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90015298) is 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is CN(CCO)c1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is KQCYQPBTIWOOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-29(12-13-30)19-10-7-16(8-11-19)22(32)28-23-20(21(25)31)27-24(33-23)26-18-9-6-15-4-2-3-5-17(15)14-18/h2-11,14,30H,12-13H2,1H3,(H2,25,31)(H,26,27)(H,28,32).
What are the key properties of 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.82, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90015298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).