2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide

C16H21N3OS — CID 66388279

IUPAC2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1csc(C(C)N)n1
InChIInChI=1S/C16H21N3OS/c1-3-9-19(10-13-7-5-4-6-8-13)16(20)14-11-21-15(18-14)12(2)17/h4-8,11-12H,3,9-10,17H2,1-2H3
InChIKeyQPVXGLPCRGNQDC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.22
Rot. Bonds6

About 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 66388279) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID66388279
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1csc(C(C)N)n1
InChIInChI=1S/C16H21N3OS/c1-3-9-19(10-13-7-5-4-6-8-13)16(20)14-11-21-15(18-14)12(2)17/h4-8,11-12H,3,9-10,17H2,1-2H3
InChIKeyQPVXGLPCRGNQDC-UHFFFAOYSA-N
XLogP3.22
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
CID 116585753
2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389821
2-(1-aminoethyl)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 113468670
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120884448
2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
CID 66388664
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
CID 116585747
2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390687
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388886
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417
2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
CID 66374374
N-benzyl-6-chloro-N-propylpyrazine-2-carboxamide
CID 103186970

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide (CID 66388279) is 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide is CCCN(Cc1ccccc1)C(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is QPVXGLPCRGNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-9-19(10-13-7-5-4-6-8-13)16(20)14-11-21-15(18-14)12(2)17/h4-8,11-12H,3,9-10,17H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).