N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C20H22N4OS — CID 120649145

IUPACN-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C20H22N4OS/c21-9-5-11-24(14-16-6-2-1-3-7-16)19(25)12-18-15-26-20(23-18)17-8-4-10-22-13-17/h1-4,6-8,10,13,15H,5,9,11-12,14,21H2
InChIKeyROKJLLKIAOUJRY-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.13
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 120649145) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID120649145
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C20H22N4OS/c21-9-5-11-24(14-16-6-2-1-3-7-16)19(25)12-18-15-26-20(23-18)17-8-4-10-22-13-17/h1-4,6-8,10,13,15H,5,9,11-12,14,21H2
InChIKeyROKJLLKIAOUJRY-UHFFFAOYSA-N
XLogP3.13
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120648388
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
methyl 2-[(4-chlorophenyl)methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 55802881
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 51207321
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137099090
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119207601
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 112795057
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99181625

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 120649145) is N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is NCCCN(Cc1ccccc1)C(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ROKJLLKIAOUJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c21-9-5-11-24(14-16-6-2-1-3-7-16)19(25)12-18-15-26-20(23-18)17-8-4-10-22-13-17/h1-4,6-8,10,13,15H,5,9,11-12,14,21H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 120649145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).