2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide

C25H25N5O3S — CID 118061321

IUPAC2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCCN(c1ccc2ccccc2c1)c1nc(C(N)=O)c(NC(=O)c2ccc(NCCO)cc2)s1
InChIInChI=1S/C25H25N5O3S/c1-2-30(20-12-9-16-5-3-4-6-18(16)15-20)25-28-21(22(26)32)24(34-25)29-23(33)17-7-10-19(11-8-17)27-13-14-31/h3-12,15,27,31H,2,13-14H2,1H3,(H2,26,32)(H,29,33)
InChIKeyTZUDEFXXFLBPQD-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.21
Rot. Bonds9

About 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide

2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 118061321) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID118061321
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCCN(c1ccc2ccccc2c1)c1nc(C(N)=O)c(NC(=O)c2ccc(NCCO)cc2)s1
InChIInChI=1S/C25H25N5O3S/c1-2-30(20-12-9-16-5-3-4-6-18(16)15-20)25-28-21(22(26)32)24(34-25)29-23(33)17-7-10-19(11-8-17)27-13-14-31/h3-12,15,27,31H,2,13-14H2,1H3,(H2,26,32)(H,29,33)
InChIKeyTZUDEFXXFLBPQD-UHFFFAOYSA-N
XLogP4.21
TPSA120.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 118061321) is 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide is CCN(c1ccc2ccccc2c1)c1nc(C(N)=O)c(NC(=O)c2ccc(NCCO)cc2)s1.
What is the InChIKey of 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is TZUDEFXXFLBPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-2-30(20-12-9-16-5-3-4-6-18(16)15-20)25-28-21(22(26)32)24(34-25)29-23(33)17-7-10-19(11-8-17)27-13-14-31/h3-12,15,27,31H,2,13-14H2,1H3,(H2,26,32)(H,29,33).
What are the key properties of 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide?
2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.21, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(naphthalen-2-yl)amino]-5-[[4-(2-hydroxyethylamino)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).