N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride

C15H16ClN5O2S2 — CID 120858775

IUPACN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(Cc3csc(NC(=O)c4cccs4)n3)n2)CCC1
InChIInChI=1S/C15H15N5O2S2.ClH/c16-15(4-2-5-15)13-18-11(22-20-13)7-9-8-24-14(17-9)19-12(21)10-3-1-6-23-10;/h1,3,6,8H,2,4-5,7,16H2,(H,17,19,21);1H
InChIKeyAHBBQKHAFIOPLB-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.19
Rot. Bonds5

About N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride

N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120858775) has the molecular formula C15H16ClN5O2S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID120858775
Molecular FormulaC15H16ClN5O2S2
Molecular Weight397.91 g/mol
Exact Mass397.04
IUPAC NameN-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(Cc3csc(NC(=O)c4cccs4)n3)n2)CCC1
InChIInChI=1S/C15H15N5O2S2.ClH/c16-15(4-2-5-15)13-18-11(22-20-13)7-9-8-24-14(17-9)19-12(21)10-3-1-6-23-10;/h1,3,6,8H,2,4-5,7,16H2,(H,17,19,21);1H
InChIKeyAHBBQKHAFIOPLB-UHFFFAOYSA-N
XLogP3.19
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
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N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120864991
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CID 120852871
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CID 120862787
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N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119478811
N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride (CID 120858775) is N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride is Cl.NC1(c2noc(Cc3csc(NC(=O)c4cccs4)n3)n2)CCC1.
What is the InChIKey of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is AHBBQKHAFIOPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2.ClH/c16-15(4-2-5-15)13-18-11(22-20-13)7-9-8-24-14(17-9)19-12(21)10-3-1-6-23-10;/h1,3,6,8H,2,4-5,7,16H2,(H,17,19,21);1H.
What are the key properties of N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120858775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).