N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide

C19H21N5O3S — CID 510291

IUPACN-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1nnc(NCCNC(C)=O)s1
InChIInChI=1S/C19H21N5O3S/c1-3-27-15-9-8-13-6-4-5-7-14(13)16(15)17(26)22-19-24-23-18(28-19)21-11-10-20-12(2)25/h4-9H,3,10-11H2,1-2H3,(H,20,25)(H,21,23)(H,22,24,26)
InChIKeyWWIXLTWABDAKSB-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.89
Rot. Bonds8

About N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide

N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 510291) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID510291
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1nnc(NCCNC(C)=O)s1
InChIInChI=1S/C19H21N5O3S/c1-3-27-15-9-8-13-6-4-5-7-14(13)16(15)17(26)22-19-24-23-18(28-19)21-11-10-20-12(2)25/h4-9H,3,10-11H2,1-2H3,(H,20,25)(H,21,23)(H,22,24,26)
InChIKeyWWIXLTWABDAKSB-UHFFFAOYSA-N
XLogP2.89
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 509333
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 43952122
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxynaphthalene-1-carboxamide
CID 43988802
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
2-ethoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 90602796
N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124
2-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122327552
3-[(2-ethoxynaphthalene-1-carbonyl)amino]-1-benzofuran-2-carboxamide
CID 7385763
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 121062474
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide (CID 510291) is N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1nnc(NCCNC(C)=O)s1.
What is the InChIKey of N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is WWIXLTWABDAKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-3-27-15-9-8-13-6-4-5-7-14(13)16(15)17(26)22-19-24-23-18(28-19)21-11-10-20-12(2)25/h4-9H,3,10-11H2,1-2H3,(H,20,25)(H,21,23)(H,22,24,26).
What are the key properties of N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide?
N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 510291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).