N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide

C15H18ClN3OS2 — CID 119568399

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESNCC1(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCCC1
InChIInChI=1S/C15H18ClN3OS2/c16-12-4-3-11(22-12)14-18-10(8-21-14)7-13(20)19-15(9-17)5-1-2-6-15/h3-4,8H,1-2,5-7,9,17H2,(H,19,20)
InChIKeyLDMXBJHMHGADAK-UHFFFAOYSA-N
MW355.92 g/mol
LogP3.46
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide

N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 119568399) has the molecular formula C15H18ClN3OS2 and a molecular weight of 355.92 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID119568399
Molecular FormulaC15H18ClN3OS2
Molecular Weight355.92 g/mol
Exact Mass355.06
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESNCC1(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCCC1
InChIInChI=1S/C15H18ClN3OS2/c16-12-4-3-11(22-12)14-18-10(8-21-14)7-13(20)19-15(9-17)5-1-2-6-15/h3-4,8H,1-2,5-7,9,17H2,(H,19,20)
InChIKeyLDMXBJHMHGADAK-UHFFFAOYSA-N
XLogP3.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.92
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119567872
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide
CID 126767657
N-[1-(aminomethyl)cyclopentyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119566614
N-[1-(aminomethyl)cyclopentyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119566846
N-[1-(aminomethyl)cyclopentyl]-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119565568
N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119567957
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide
CID 119509433
N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499585
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbutanoic acid
CID 119198929
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119509432

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide (CID 119568399) is N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide is NCC1(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is LDMXBJHMHGADAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS2/c16-12-4-3-11(22-12)14-18-10(8-21-14)7-13(20)19-15(9-17)5-1-2-6-15/h3-4,8H,1-2,5-7,9,17H2,(H,19,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 355.92 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119568399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).