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

C13H18Cl3N3OS2 — CID 119499585

IUPACN-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC(N)CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1.Cl.Cl
InChIInChI=1S/C13H16ClN3OS2.2ClH/c1-8(15)4-5-16-12(18)6-9-7-19-13(17-9)10-2-3-11(14)20-10;;/h2-3,7-8H,4-6,15H2,1H3,(H,16,18);2*1H
InChIKeyUYFSCSMFJIWIRD-UHFFFAOYSA-N
MW402.80 g/mol
LogP3.76
Rot. Bonds6

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

N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119499585) has the molecular formula C13H18Cl3N3OS2 and a molecular weight of 402.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119499585
Molecular FormulaC13H18Cl3N3OS2
Molecular Weight402.80 g/mol
Exact Mass401.00
IUPAC NameN-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC(N)CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1.Cl.Cl
InChIInChI=1S/C13H16ClN3OS2.2ClH/c1-8(15)4-5-16-12(18)6-9-7-19-13(17-9)10-2-3-11(14)20-10;;/h2-3,7-8H,4-6,15H2,1H3,(H,16,18);2*1H
InChIKeyUYFSCSMFJIWIRD-UHFFFAOYSA-N
XLogP3.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.80
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119509432
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide
CID 119509433
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
2-[[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252744
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 86841367
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbutanoic acid
CID 119198929
N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119568399
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878
4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 119203701

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119499585) is N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is CC(N)CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is UYFSCSMFJIWIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS2.2ClH/c1-8(15)4-5-16-12(18)6-9-7-19-13(17-9)10-2-3-11(14)20-10;;/h2-3,7-8H,4-6,15H2,1H3,(H,16,18);2*1H.
What are the key properties of N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 402.80 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119499585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).