2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide

C16H21N3OS — CID 3734938

IUPAC2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2cccc(CC)c2)cs1
InChIInChI=1S/C16H21N3OS/c1-3-6-13(17)16-19-14(10-21-16)15(20)18-12-8-5-7-11(4-2)9-12/h5,7-10,13H,3-4,6,17H2,1-2H3,(H,18,20)
InChIKeyZGROMZMOYPTPRE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.76
Rot. Bonds6

About 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide

2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3734938) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID3734938
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2cccc(CC)c2)cs1
InChIInChI=1S/C16H21N3OS/c1-3-6-13(17)16-19-14(10-21-16)15(20)18-12-8-5-7-11(4-2)9-12/h5,7-10,13H,3-4,6,17H2,1-2H3,(H,18,20)
InChIKeyZGROMZMOYPTPRE-UHFFFAOYSA-N
XLogP3.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3801274
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3832974
2-(1-aminobutyl)-N-[(3-iodophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3489528
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390218
2-(1-aminobutyl)-N-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3790285
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
6-(ethylamino)-N-(3-ethylphenyl)pyridine-2-carboxamide
CID 62239785
2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66374193

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide (CID 3734938) is 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide is CCCC(N)c1nc(C(=O)Nc2cccc(CC)c2)cs1.
What is the InChIKey of 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZGROMZMOYPTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-6-13(17)16-19-14(10-21-16)15(20)18-12-8-5-7-11(4-2)9-12/h5,7-10,13H,3-4,6,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3734938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).