2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide

C18H24N4O2S — CID 120797488

IUPAC2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
SMILESNC(C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)C1CCOCC1
InChIInChI=1S/C18H24N4O2S/c19-16(12-5-9-24-10-6-12)17(23)20-13-3-4-14-15(11-13)25-18(21-14)22-7-1-2-8-22/h3-4,11-12,16H,1-2,5-10,19H2,(H,20,23)
InChIKeyYSZGCVYXOWJUSR-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide

2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 120797488) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
PubChem CID120797488
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
SMILESNC(C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)C1CCOCC1
InChIInChI=1S/C18H24N4O2S/c19-16(12-5-9-24-10-6-12)17(23)20-13-3-4-14-15(11-13)25-18(21-14)22-7-1-2-8-22/h3-4,11-12,16H,1-2,5-10,19H2,(H,20,23)
InChIKeyYSZGCVYXOWJUSR-UHFFFAOYSA-N
XLogP2.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pentanamide;dihydrochloride
CID 119839224
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833449
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 34186868
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
(2S,5R)-5-(aminomethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797486
1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 43066360

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide (CID 120797488) is 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide is NC(C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is YSZGCVYXOWJUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c19-16(12-5-9-24-10-6-12)17(23)20-13-3-4-14-15(11-13)25-18(21-14)22-7-1-2-8-22/h3-4,11-12,16H,1-2,5-10,19H2,(H,20,23).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 120797488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).