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

C16H23Cl2N3O2S — CID 119610162

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCc1sc(-c2ccco2)nc1C(=O)NC1CCCCC1CN.Cl.Cl
InChIInChI=1S/C16H21N3O2S.2ClH/c1-10-14(19-16(22-10)13-7-4-8-21-13)15(20)18-12-6-3-2-5-11(12)9-17;;/h4,7-8,11-12H,2-3,5-6,9,17H2,1H3,(H,18,20);2*1H
InChIKeySAMNTFQNHWLXIX-UHFFFAOYSA-N
MW392.35 g/mol
LogP3.80
Rot. Bonds4

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

N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119610162) has the molecular formula C16H23Cl2N3O2S and a molecular weight of 392.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119610162
Molecular FormulaC16H23Cl2N3O2S
Molecular Weight392.35 g/mol
Exact Mass391.09
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCc1sc(-c2ccco2)nc1C(=O)NC1CCCCC1CN.Cl.Cl
InChIInChI=1S/C16H21N3O2S.2ClH/c1-10-14(19-16(22-10)13-7-4-8-21-13)15(20)18-12-6-3-2-5-11(12)9-17;;/h4,7-8,11-12H,2-3,5-6,9,17H2,1H3,(H,18,20);2*1H
InChIKeySAMNTFQNHWLXIX-UHFFFAOYSA-N
XLogP3.80
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 43055913
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
N-[2-(aminomethyl)cyclopentyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 119602827
2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120555681
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119611574
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119611575
N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 119997754
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
N-[2-(aminomethyl)cyclopentyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119603692
2-(furan-2-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 111597345
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119610162) is N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is Cc1sc(-c2ccco2)nc1C(=O)NC1CCCCC1CN.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is SAMNTFQNHWLXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.2ClH/c1-10-14(19-16(22-10)13-7-4-8-21-13)15(20)18-12-6-3-2-5-11(12)9-17;;/h4,7-8,11-12H,2-3,5-6,9,17H2,1H3,(H,18,20);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 392.35 g/mol, XLogP of 3.80, 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]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119610162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).