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

C17H23N3O2S — CID 119611575

IUPACN-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NC3CCCCC3CN)s2)o1
InChIInChI=1S/C17H23N3O2S/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)
InChIKeyIKVJDJRSEAWQMD-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.27
Rot. Bonds4

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

N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 119611575) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID119611575
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NC3CCCCC3CN)s2)o1
InChIInChI=1S/C17H23N3O2S/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)
InChIKeyIKVJDJRSEAWQMD-UHFFFAOYSA-N
XLogP3.27
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.27
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;dihydrochloride
CID 119611574
N-[2-(aminomethyl)cyclohexyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119612433
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]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119612126
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-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162
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
N-cyclopentyl-N-ethyl-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 71896501

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?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 119611575) is N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NC3CCCCC3CN)s2)o1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is IKVJDJRSEAWQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/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).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.27, 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 is sourced from PubChem (CID 119611575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).