N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

C17H25Cl2N3O2S — CID 119611574

IUPACN-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1ccc(-c2nc(C)c(C(=O)NC3CCCCC3CN)s2)o1.Cl.Cl
InChIInChI=1S/C17H23N3O2S.2ClH/c1-10-7-8-14(22-10)17-19-11(2)15(23-17)16(21)20-13-6-4-3-5-12(13)9-18;;/h7-8,12-13H,3-6,9,18H2,1-2H3,(H,20,21);2*1H
InChIKeyHTTZZWGTJPSFDD-UHFFFAOYSA-N
MW406.38 g/mol
LogP4.11
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119611574) has the molecular formula C17H25Cl2N3O2S and a molecular weight of 406.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119611574
Molecular FormulaC17H25Cl2N3O2S
Molecular Weight406.38 g/mol
Exact Mass405.10
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1ccc(-c2nc(C)c(C(=O)NC3CCCCC3CN)s2)o1.Cl.Cl
InChIInChI=1S/C17H23N3O2S.2ClH/c1-10-7-8-14(22-10)17-19-11(2)15(23-17)16(21)20-13-6-4-3-5-12(13)9-18;;/h7-8,12-13H,3-6,9,18H2,1-2H3,(H,20,21);2*1H
InChIKeyHTTZZWGTJPSFDD-UHFFFAOYSA-N
XLogP4.11
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119611575
N-[2-(aminomethyl)cyclohexyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119612433
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119616356
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610624
N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119612126
N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-[2-(aminomethyl)cyclopentyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 119605177
N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 119611726

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119611574) is N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1ccc(-c2nc(C)c(C(=O)NC3CCCCC3CN)s2)o1.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is HTTZZWGTJPSFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.2ClH/c1-10-7-8-14(22-10)17-19-11(2)15(23-17)16(21)20-13-6-4-3-5-12(13)9-18;;/h7-8,12-13H,3-6,9,18H2,1-2H3,(H,20,21);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 406.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119611574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).