N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

C19H21N3O2S — CID 119611726

IUPACN-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESNCC1CCCCC1NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H21N3O2S/c20-11-12-5-1-2-6-13(12)21-18(23)15-9-10-16(24-15)19-22-14-7-3-4-8-17(14)25-19/h3-4,7-10,12-13H,1-2,5-6,11,20H2,(H,21,23)
InChIKeyGCUSQNNNCOZOND-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 119611726) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID119611726
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESNCC1CCCCC1NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H21N3O2S/c20-11-12-5-1-2-6-13(12)21-18(23)15-9-10-16(24-15)19-22-14-7-3-4-8-17(14)25-19/h3-4,7-10,12-13H,1-2,5-6,11,20H2,(H,21,23)
InChIKeyGCUSQNNNCOZOND-UHFFFAOYSA-N
XLogP3.80
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
cis-(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677630
5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
CID 46476694
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
methyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 71886107
N-[2-(aminomethyl)cyclopentyl]-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119601230
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119611575
5-(1,3-benzothiazol-2-yl)-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 119463481
5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide
CID 56569015
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119611574
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 119611726) is N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is NCC1CCCCC1NC(=O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is GCUSQNNNCOZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c20-11-12-5-1-2-6-13(12)21-18(23)15-9-10-16(24-15)19-22-14-7-3-4-8-17(14)25-19/h3-4,7-10,12-13H,1-2,5-6,11,20H2,(H,21,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 355.46 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]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 119611726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).