1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide

C19H21N3O2S — CID 119275805

IUPAC1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCCCC1
InChIInChI=1S/C19H21N3O2S/c20-19(10-4-1-5-11-19)18(23)21-12-13-8-9-15(24-13)17-22-14-6-2-3-7-16(14)25-17/h2-3,6-9H,1,4-5,10-12,20H2,(H,21,23)
InChIKeyATSGFVVODZVTQK-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.83
Rot. Bonds4

About 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 119275805) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
PubChem CID119275805
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCCCC1
InChIInChI=1S/C19H21N3O2S/c20-19(10-4-1-5-11-19)18(23)21-12-13-8-9-15(24-13)17-22-14-6-2-3-7-16(14)25-17/h2-3,6-9H,1,4-5,10-12,20H2,(H,21,23)
InChIKeyATSGFVVODZVTQK-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275804
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619297
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724345
3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119698056
(2S,5R)-5-(aminomethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120785081
(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97084511
(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25417264
2,2,2-trifluoroethyl N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-2-oxoethyl]carbamate
CID 78905322

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide (CID 119275805) is 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCCCC1.
What is the InChIKey of 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is ATSGFVVODZVTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c20-19(10-4-1-5-11-19)18(23)21-12-13-8-9-15(24-13)17-22-14-6-2-3-7-16(14)25-17/h2-3,6-9H,1,4-5,10-12,20H2,(H,21,23).
What are the key properties of 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119275805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).