(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide

C17H23N3OS — CID 25487919

IUPAC(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide
SMILESC[C@@H](Nc1nc2ccccc2s1)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H23N3OS/c1-12(16(21)19-13-8-4-2-3-5-9-13)18-17-20-14-10-6-7-11-15(14)22-17/h6-7,10-13H,2-5,8-9H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyUHVGTPZCXONBBF-GFCCVEGCSA-N
MW317.46 g/mol
LogP3.94
Rot. Bonds4

About (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide

(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide (PubChem CID 25487919) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide
PubChem CID25487919
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide
SMILESC[C@@H](Nc1nc2ccccc2s1)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H23N3OS/c1-12(16(21)19-13-8-4-2-3-5-9-13)18-17-20-14-10-6-7-11-15(14)22-17/h6-7,10-13H,2-5,8-9H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyUHVGTPZCXONBBF-GFCCVEGCSA-N
XLogP3.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
methyl (2S)-2-(1,3-benzothiazol-2-ylamino)propanoate
CID 6991162
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-pentan-3-ylpropanamide
CID 8849998
(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide
CID 940434
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 35708598
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
(2S)-2-(1,3-benzothiazol-2-ylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 94820943
N'-[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-2-fluorobenzohydrazide
CID 41248411
3-(1,3-benzothiazol-2-yl)-N-(1-cyclohexylethyl)-2,3-dihydroxypropanamide
CID 110015940
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide
CID 9398347
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide?
The IUPAC name of (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide (CID 25487919) is (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide.
What is the SMILES notation for (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide?
The canonical SMILES for (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide is C[C@@H](Nc1nc2ccccc2s1)C(=O)NC1CCCCCC1.
What is the InChIKey of (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide?
The InChIKey is UHVGTPZCXONBBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(16(21)19-13-8-4-2-3-5-9-13)18-17-20-14-10-6-7-11-15(14)22-17/h6-7,10-13H,2-5,8-9H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide?
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide has a molecular weight of 317.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide is sourced from PubChem (CID 25487919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).