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

C15H18ClN5O2S2 — CID 120864991

IUPACN-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCNC(C)Cc1noc(Cc2csc(NC(=O)c3cccs3)n2)n1.Cl
InChIInChI=1S/C15H17N5O2S2.ClH/c1-9(16-2)6-12-18-13(22-20-12)7-10-8-24-15(17-10)19-14(21)11-4-3-5-23-11;/h3-5,8-9,16H,6-7H2,1-2H3,(H,17,19,21);1H
InChIKeyISKIRLSPADUEMF-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.00
Rot. Bonds7

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

N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120864991) has the molecular formula C15H18ClN5O2S2 and a molecular weight of 399.93 g/mol. Its IUPAC name is N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID120864991
Molecular FormulaC15H18ClN5O2S2
Molecular Weight399.93 g/mol
Exact Mass399.06
IUPAC NameN-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCNC(C)Cc1noc(Cc2csc(NC(=O)c3cccs3)n2)n1.Cl
InChIInChI=1S/C15H17N5O2S2.ClH/c1-9(16-2)6-12-18-13(22-20-12)7-10-8-24-15(17-10)19-14(21)11-4-3-5-23-11;/h3-5,8-9,16H,6-7H2,1-2H3,(H,17,19,21);1H
InChIKeyISKIRLSPADUEMF-UHFFFAOYSA-N
XLogP3.00
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120858775
N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide
CID 120868060
N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 120507248
1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868535
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
N-[4-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208685
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208657
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 29369939
N-[4-[2-[1-(3-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 86941785

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride (CID 120864991) is N-[4-[[3-[2-(methylamino)propyl]-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-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride is CNC(C)Cc1noc(Cc2csc(NC(=O)c3cccs3)n2)n1.Cl.
What is the InChIKey of N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is ISKIRLSPADUEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2.ClH/c1-9(16-2)6-12-18-13(22-20-12)7-10-8-24-15(17-10)19-14(21)11-4-3-5-23-11;/h3-5,8-9,16H,6-7H2,1-2H3,(H,17,19,21);1H.
What are the key properties of N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 399.93 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120864991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).