N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C21H22N2OS2 — CID 55557175

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C21H22N2OS2/c1-15(17-9-10-17)23(13-16-6-3-2-4-7-16)20(24)12-18-14-26-21(22-18)19-8-5-11-25-19/h2-8,11,14-15,17H,9-10,12-13H2,1H3
InChIKeyPEVSTCRKPZYMSD-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.24
Rot. Bonds7

About N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55557175) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55557175
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C21H22N2OS2/c1-15(17-9-10-17)23(13-16-6-3-2-4-7-16)20(24)12-18-14-26-21(22-18)19-8-5-11-25-19/h2-8,11,14-15,17H,9-10,12-13H2,1H3
InChIKeyPEVSTCRKPZYMSD-UHFFFAOYSA-N
XLogP5.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826623
N-(1-cyclopropylethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775458
N-(3-hydroxypropyl)-N-propan-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 61038550
N-benzyl-N-(1-cyclopropylethyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24559269
N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide
CID 38392360
N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 24609866
N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39081023
2-(5-amino-2-pyridinyl)-N-benzyl-N-(1-cyclopropylethyl)acetamide;hydrochloride
CID 120617047
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 60531411
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119679047
N-[(4-cyanophenyl)methyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39860098

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 55557175) is N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PEVSTCRKPZYMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c1-15(17-9-10-17)23(13-16-6-3-2-4-7-16)20(24)12-18-14-26-21(22-18)19-8-5-11-25-19/h2-8,11,14-15,17H,9-10,12-13H2,1H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 382.55 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55557175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).