2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride

C15H20Cl3N3OS2 — CID 120555044

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1.Cl.Cl
InChIInChI=1S/C15H18ClN3OS2.2ClH/c1-9-7-17-5-4-11(9)19-14(20)6-10-8-21-15(18-10)12-2-3-13(16)22-12;;/h2-3,8-9,11,17H,4-7H2,1H3,(H,19,20);2*1H
InChIKeyUFJQUXCCXZJYSY-UHFFFAOYSA-N
MW428.84 g/mol
LogP4.03
Rot. Bonds4

About 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 120555044) has the molecular formula C15H20Cl3N3OS2 and a molecular weight of 428.84 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
PubChem CID120555044
Molecular FormulaC15H20Cl3N3OS2
Molecular Weight428.84 g/mol
Exact Mass427.01
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1.Cl.Cl
InChIInChI=1S/C15H18ClN3OS2.2ClH/c1-9-7-17-5-4-11(9)19-14(20)6-10-8-21-15(18-10)12-2-3-13(16)22-12;;/h2-3,8-9,11,17H,4-7H2,1H3,(H,19,20);2*1H
InChIKeyUFJQUXCCXZJYSY-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride with MolForge

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120557505
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119533102
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120557506
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120555813
2-(5-bromothiophen-2-yl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120555124
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119509432
4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 119203701
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-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 86841367
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride (CID 120555044) is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride is CC1CNCCC1NC(=O)Cc1csc(-c2ccc(Cl)s2)n1.Cl.Cl.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The InChIKey is UFJQUXCCXZJYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS2.2ClH/c1-9-7-17-5-4-11(9)19-14(20)6-10-8-21-15(18-10)12-2-3-13(16)22-12;;/h2-3,8-9,11,17H,4-7H2,1H3,(H,19,20);2*1H.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 428.84 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120555044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).